Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.40 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL362964 | 0.89 | TSHR (0.43) | ALDH1A1KMT2AMEN1KDM4EPABPC1 | |
| Diethylamine SCHEMBL7124948 | 0.86 | KCNN4 (0.42) | ALDH1A1KMT2AMEN1KDM4EPABPC1 | |
| Dimethylamine SCHEMBL8511811 | 0.85 | KCNN4 (0.43) | ALDH1A1KMT2AMEN1KDM4EPABPC1 | |
| SCHEMBL30056216 | 0.82 | LMNA (0.41) | ALDH1A1TSHR | |
| SCHEMBL3217833 | 0.82 | KCNN4 (0.47) | ALDH1A1KMT2AMEN1CYP2C9CYP2C19 | |
| SCHEMBL4796677 | 0.82 | MEN1 (0.44) | ALDH1A1KMT2AMEN1SMN1; SMN2TSHR | |
| SCHEMBL1793818 | 0.81 | NR1H2 (0.48) | ALDH1A1KMT2AMEN1KDM4ETSHR | |
| SCHEMBL1812486 | 0.81 | KIF11 (0.49) | ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2 | |
| SCHEMBL11571566 | 0.79 | KIF11 (0.47) | ALDH1A1KDM4EHTR2C | |
| SCHEMBL7734271 | 0.79 | CYP2C9 (0.48) | ALDH1A1CYP2C9TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6630597-B1 | Photochromic 6-aryl substituted 3H-naphtho(2, 1-b)pyran compounds, examples of which are naphthopyran compounds having a substituted aryl group at the number 6 carbon atom and certain substituents at the 3-position of the pyran ring | TRANSITIONS OPTICAL, INC. | 2003-10-07 | — | — | US | disclosed |
| EP-1042311-A1 | PHOTOCHROMIC 6-ARYL SUBSTITUTED 3H-NAPHTHO 2,1-b]PYRANS | TRANSITIONS OPTICAL, INC. (US) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999031082-A1 | PHOTOCHROMIC 6-ARYL SUBSTITUTED 3H-NAPHTHO[2,1-b]PYRANS | TRANSITIONS OPTICAL, INC. (US) | 1999-06-24 | — | — | WO | disclosed |