Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Phenanthrene. 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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | GPR3 | P46089 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL27849601 | 0.91 | ALDH1A1 (0.74) | CYP3A4ALDH1A1MEN1KMT2ACASP1 | |
| Quinoline SCHEMBL4265438 | 0.91 | ALDH1A1 (0.74) | CYP3A4ALDH1A1MEN1KMT2ACASP1 | |
| Quinoline SCHEMBL28201659 | 0.89 | ALDH1A1 (0.71) | CYP3A4ALDH1A1MEN1KMT2ACASP1 | |
| Phenanthrene SCHEMBL28062390 | 0.89 | ALDH1A1 (0.77) | CYP3A4ALDH1A1MEN1KMT2ACASP1 | |
| Phenanthrene SCHEMBL28090206 | 0.87 | ALDH1A1 (0.74) | CYP3A4ALDH1A1MEN1KMT2ACASP1 | |
| Phenanthrene SCHEMBL28122187 | 0.84 | CYP3A4 (0.59) | CYP3A4ALDH1A1MEN1KMT2ACASP1 | |
| Quinoline SCHEMBL28269861 | 0.83 | CYP3A4 (0.88) | CYP3A4ALDH1A1MEN1KMT2ACASP1 | |
| Quinoline SCHEMBL28252079 | 0.83 | ALDH1A1 (0.68) | CYP3A4ALDH1A1MEN1KMT2ACASP1 | |
| Quinoline SCHEMBL2535469 | 0.82 | ALDH1A1 (0.81) | CYP3A4ALDH1A1MEN1KMT2ACASP1 | |
| Quinoline SCHEMBL28817573 | 0.82 | ALDH1A1 (0.61) | CYP3A4ALDH1A1MEN1KMT2ACASP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106136246-A | A kind of have slow down aging and the compositions of hair growth promoting function and application thereof | 无限极（中国）有限公司 | 2016-11-23 | — | — | CN | disclosed |