Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Padimate O. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.93 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.93 |
| ▸ | LMNA | P02545 | 3/20 | 0.93 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.93 |
| ▸ | TSHR | P16473 | 4/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.51 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.51 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Padimate O SCHEMBL28272049 | 0.97 | ALDH1A1 (0.97) | ALDH1A1CYP3A4LMNAHSD17B10TSHR | |
| Padimate O SCHEMBL15432 | 0.96 | ALDH1A1 (1.00) | ALDH1A1CYP3A4LMNAHSD17B10TSHR | |
| Padimate O SCHEMBL1769139 | 0.96 | ALDH1A1 (1.00) | ALDH1A1CYP3A4LMNAHSD17B10TSHR | |
| Padimate O SCHEMBL29052074 | 0.96 | ALDH1A1 (1.00) | ALDH1A1CYP3A4LMNAHSD17B10TSHR | |
| Padimate O SCHEMBL28250616 | 0.94 | ALDH1A1 (0.90) | ALDH1A1CYP3A4LMNAHSD17B10TSHR | |
| Padimate O SCHEMBL28849346 | 0.91 | ALDH1A1 (0.90) | ALDH1A1CYP3A4LMNAHSD17B10TSHR | |
| SCHEMBL1961174 | 0.91 | ALDH1A1 (0.90) | ALDH1A1CYP3A4LMNAHSD17B10TSHR | |
| Padimate O SCHEMBL27008006 | 0.91 | ALDH1A1 (0.84) | ALDH1A1CYP3A4LMNAHSD17B10TSHR | |
| Padimate O SCHEMBL599449 | 0.90 | ALDH1A1 (0.88) | ALDH1A1CYP3A4LMNAHSD17B10TSHR | |
| Padimate O SCHEMBL8000988 | 0.90 | ALDH1A1 (0.82) | ALDH1A1CYP3A4LMNAHSD17B10TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1216017-B1 | HAIR CARE COMPOSITION | BOOTS CO PLC (GB) | 2007-09-12 | — | — | EP | disclosed |
| EP-1216017-A1 | HAIR CARE COMPOSITION | The Boots Company PLC (GB) | 2002-06-26 | — | — | EP | disclosed |
| WO-2001022924-A1 | HAIR CARE COMPOSITION | THE BOOTS COMPANY PLC (GB) | 2001-04-05 | — | — | WO | disclosed |
| WO-1996036312-A1 | HAIR CARE COMPOSITIONS | THE BOOTS COMPANY PLC (GB) | 1996-11-21 | — | — | WO | disclosed |