Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRB1ADRB2ADRB3CYP11B1DPP4FGFR1FGFR2FGFR3FGFR4HRH1JAK1JAK2JAK3KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITNAOPRD1OPRK1OPRM1PPDGFRBPIK3CDSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASMOTYK2polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Pentaquine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 10/20 | 0.67 |
| ▸ | HSP90AB1 | P08238 | 10/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.64 |
| ▸ | MEN1 | O00255 | 4/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | HTT | P42858 | 2/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.63 |
| ▸ | THRB | P10828 | 2/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.63 |
| ▸ | TDP2 | O95551 | 1/20 | 0.63 |
| ▸ | FGB | P02675 | 1/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.63 |
| ▸ | RECQL | P46063 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | BLM | P54132 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Pentaquine SCHEMBL980723 | 0.94 | HSP90AA1 (0.74) | HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1 | |
| Pentaquine SCHEMBL29596989 | 0.94 | HSP90AA1 (0.74) | HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1 | |
| Quinocide SCHEMBL2286358 | 0.86 | MEN1 (0.88) | HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1 | |
| Phosphoric Acid SCHEMBL9719166 | 0.86 | HSP90AA1 (0.65) | HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1 | |
| SCHEMBL8891233 | 0.80 | HSP90AA1 (0.98) | HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1 | |
| SCHEMBL8891243 | 0.80 | HSP90AA1 (0.98) | HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1 | |
| SCHEMBL8900580 | 0.80 | HSP90AA1 (0.98) | HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1 | |
| SCHEMBL8891533 | 0.80 | HSP90AA1 (0.98) | HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1 | |
| SCHEMBL13856507 | 0.80 | HSP90AA1 (0.80) | HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1 | |
| SCHEMBL18163920 | 0.80 | HSP90AA1 (0.80) | HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0743574-B1 | Migration imaging members | XEROX CORP (US) | 2000-12-27 | — | — | EP | claimed |
| EP-0743573-B1 | Method for obtaining image contrast migration imaging members | XEROX CORP (US) | 2000-09-06 | — | — | EP | claimed |
| EP-0743573-A2 | Method for obtaining image contrast migration imaging members | XEROX CORPORATION (US) | 1996-11-20 | — | — | EP | claimed |
| EP-0743574-A2 | Migration imaging members | XEROX CORPORATION (US) | 1996-11-20 | — | — | EP | claimed |
| US-5563014-A | SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT | XEROX CORPORATION (US) | 1996-10-08 | — | — | US | claimed |
| US-5514505-A | SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE | XEROX CORPORATION (US) | 1996-05-07 | — | — | US | claimed |
| US-7105214-B2 | Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds | XEROX CORPORATION (US) | 2006-09-12 | — | — | US | disclosed |
| US-20030124320-A1 | Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds | XEROX CORPORATION | 2003-07-03 | — | — | US | disclosed |
| US-6482503-B1 | Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds | XEROX CORPORATION | 2002-11-19 | — | — | US | disclosed |
| EP-0743574-B1 | Migration imaging members | XEROX CORP (US) | 2000-12-27 | — | — | EP | disclosed |
| EP-0743573-B1 | Method for obtaining image contrast migration imaging members | XEROX CORP (US) | 2000-09-06 | — | — | EP | disclosed |
| EP-0673782-B1 | Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds | XEROX CORP (US) | 2000-06-14 | — | — | EP | disclosed |
| US-5635322-A | Process for developing and overcoating migration imaging members | XEROX CORPORTION (US) | 1997-06-03 | — | — | US | disclosed |
| EP-0743573-A2 | Method for obtaining image contrast migration imaging members | XEROX CORPORATION (US) | 1996-11-20 | — | — | EP | disclosed |
| US-5563014-A | SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT | XEROX CORPORATION (US) | 1996-10-08 | — | — | US | disclosed |
| US-5534374-A | Migration imaging members | XEROX CORPORATION (US) | 1996-07-09 | — | — | US | disclosed |
| US-5514505-A | SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE | XEROX CORPORATION (US) | 1996-05-07 | — | — | US | disclosed |
| EP-0673782-A2 | Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds | XEROX CORPORATION (US) | 1995-09-27 | — | — | EP | disclosed |
| US-4933447-A | FOR TREATMENT OF CARDIOVASCULAR DISORDERS | SS PHARMACEUTICAL CO., LTD. (JP) | 1990-06-12 | — | — | US | disclosed |
| EP-0308897-A1 | Quinoline derivatives | SS PHARMACEUTICAL CO., LTD. (JP) | 1989-03-29 | — | — | EP | disclosed |