Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | RAF1 known ✓ | P04049 | 1/20 | 0.40 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 6/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | ELANE | P08246 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL115116 | 0.87 | TSHR (0.48) | ALDH1A1KDM4EMAPTTDP1SMN1; SMN2 | |
| Phthalimide SCHEMBL217178 | 0.84 | CASP3 (0.55) | ALDH1A1KDM4EMAPTTDP1SMN1; SMN2 | |
| SCHEMBL1027364 | 0.84 | KDM4E (0.51) | ALDH1A1KDM4EMAPTTDP1SMN1; SMN2 | |
| SCHEMBL11675220 | 0.81 | TYMS (0.41) | ALDH1A1KDM4EMAPTTDP1SMN1; SMN2 | |
| SCHEMBL29779636 | 0.80 | MAOA (0.56) | ALDH1A1KDM4EMAPTTDP1SMN1; SMN2 | |
| SCHEMBL51539 | 0.80 | MAOA (0.56) | ALDH1A1KDM4EMAPTTDP1SMN1; SMN2 | |
| SCHEMBL17377322 | 0.80 | STAT3 (0.42) | ALDH1A1KDM4EMAPTTDP1SMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL27791525 | 0.78 | MAOA (0.54) | ALDH1A1KDM4EMAPTTDP1SMN1; SMN2 | |
| SCHEMBL9462895 | 0.78 | MAOA (0.54) | ALDH1A1KDM4EMAPTTDP1SMN1; SMN2 | |
| Benzene SCHEMBL28142453 | 0.78 | MAOA (0.54) | ALDH1A1KDM4EMAPTTDP1SMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3191184-A1 | STRUCTURE MODIFYING APPARATUS | The Procter and Gamble Company (US) | 2017-07-19 | — | — | EP | disclosed |
| EP-3191183-A1 | STRUCTURE MODIFYING APPARATUS | The Procter and Gamble Company (US) | 2017-07-19 | — | — | EP | disclosed |
| WO-2016060856-A1 | DISPERSED CARBON-COATED METAL PARTICLES, ARTICLES AND USES | EASTMAN KODAK COMPANY (US) | 2016-04-21 | — | — | WO | disclosed |
| WO-2016040215-A1 | STRUCTURE MODIFYING APPARATUS | THE PROCTER & GAMBLE COMPANY (US) | 2016-03-17 | — | — | WO | disclosed |
| WO-2016040216-A1 | STRUCTURE MODIFYING APPARATUS | THE PROCTER & GAMBLE COMPANY (US) | 2016-03-17 | — | — | WO | disclosed |
| WO-2015199988-A1 | LATEX PRIMER COMPOSITION AND LATEX PRIMED SUBSTRATES | EASTMAN KODAK COMPANY (US) | 2015-12-30 | — | — | WO | disclosed |
| EP-2424947-A1 | COMPOSITIONS AND METHODS INCORPORATING PHOTOCATALYSTS | The Procter & Gamble Company (US) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010126919-A1 | COMPOSITIONS AND METHODS INCORPORATING PHOTOCATALYSTS | THE PROCTER & GAMBLE COMPANY (US) | 2010-11-04 | — | — | WO | disclosed |