Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | HPGDS | O60760 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL526662 | 0.80 | SMN1; SMN2 (0.58) | NPC1RAB9AHPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL8308442 | 0.79 | HPGD (0.50) | NPC1RAB9AHPGDSCES2CES1 | |
| SCHEMBL30733936 | 0.76 | HPGDS (0.47) | NPC1RAB9AHPGDSCES2CES1 | |
| SCHEMBL30733937 | 0.76 | HPGDS (0.47) | NPC1RAB9AHPGDSCES2CES1 | |
| SCHEMBL182010 | 0.76 | CES2 (0.71) | NPC1RAB9AHPGDSCES2CES1 | |
| SCHEMBL9689183 | 0.76 | GSK3B (0.47) | NPC1RAB9AHPGDSCES2CES1 | |
| SCHEMBL9688864 | 0.76 | TSHR (0.44) | NPC1RAB9AHPGDSCES2CES1 | |
| SCHEMBL9689246 | 0.76 | TSHR (0.44) | NPC1RAB9AHPGDSCES2CES1 | |
| SCHEMBL1046579 | 0.75 | HPGDS (0.46) | NPC1RAB9AHPGDSCES2CES1 | |
| Hydrochloric Acid SCHEMBL8995874 | 0.74 | KMT2A (0.43) | NPC1RAB9AHPGDSCES2CES1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1458386-B1 | AROYL PYRROLE HETEROERYL AND METHANOLS USEFUL FOR TREATING A CENTRAL NERVOUS SYSTEM DISORDER | ORTHO MCNEIL PHARM INC (US) | 2007-04-18 | — | — | EP | disclosed |
| US-20050148636-A1 | Useful aroyl pyrrole heteroaryl methanones and methanols | JANSSEN PHARMACEUTICA, N.V. (BE) | 2005-07-07 | — | — | US | disclosed |
| US-6897319-B2 | Useful aroyl pyrrole heteroaryl methanones and methanols | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2005-05-24 | — | — | US | disclosed |
| US-20040058980-A1 | Useful aroyl pyrrole heteroaryl methanones and methanols | ORTHO-MCNEIL PHARMACEUTICALS, INC. | 2004-03-25 | — | — | US | disclosed |
| US-20030181481-A1 | Useful aroyl pyrrole heteroaryl methanones and methanols | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-09-25 | — | — | US | disclosed |
| WO-2003057147-A2 | USEFUL AROYL PYRROLE HETEROARYL METHANONES AND METHANOLS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2003-07-17 | — | — | WO | disclosed |
| US-6573267-B2 | Central nervous system disorders | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-06-03 | — | — | US | disclosed |
| US-20020019436-A1 | Useful aroyl aminoacyl pyrrole compounds | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2002-02-14 | — | — | US | disclosed |
| WO-2002002521-A2 | AROYL AMINOACYL PYRROLE COMPOUNDS AND THEIR PHARMACEUTICAL USE | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2002-01-10 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050148636-A1 | Useful aroyl pyrrole heteroaryl methanones and methanols | CYP11B2, NLN, CNR2 | NPC1 1743/4885RAB9A 1671/4885HPGDS 925/4885 |
| US-20020019436-A1 | Useful aroyl aminoacyl pyrrole compounds | ABAT, GAP43, AADAT | NPC1 4708/4885RAB9A 1533/4885HPGDS 493/4885 |
| US-20040058980-A1 | Useful aroyl pyrrole heteroaryl methanones and methanols | CYP11B2, NLN, CNR2 | NPC1 1743/4885RAB9A 1671/4885HPGDS 925/4885 |
| US-20030181481-A1 | Useful aroyl pyrrole heteroaryl methanones and methanols | CYP11B2, NLN, CNR2 | NPC1 1743/4885RAB9A 1671/4885HPGDS 925/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.