Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | STAT3 | P40763 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 2/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL2146458 | 0.96 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDGAASTAT3 | |
| SCHEMBL243748 | 0.96 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDGAASTAT3 | |
| SCHEMBL8780492 | 0.96 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDGAASTAT3 | |
| SCHEMBL8780487 | 0.96 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDGAASTAT3 | |
| Zinc Ion SCHEMBL10395382 | 0.96 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDGAASTAT3 | |
| SCHEMBL5838768 | 0.96 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDGAASTAT3 | |
| SCHEMBL6196574 | 0.96 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDGAASTAT3 | |
| SCHEMBL1764824 | 0.96 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDGAASTAT3 | |
| SCHEMBL60874 | 0.81 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDGAASTAT3 | |
| SCHEMBL2975427 | 0.80 | KDM4E (0.56) | ALDH1A1KDM4EHPGDGAASTAT3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5626839-A | Light responsive self-tanning products and methods for use | SCALES-MEDEIROS VIRGINIA (US) | 1997-05-06 | — | — | US | disclosed |