Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.60 |
| ▸ | MAOA | P21397 | 2/20 | 0.60 |
| ▸ | HTR2C | P28335 | 1/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11441139 | 0.83 | CYP3A4 (0.68) | ALDH1A1KDM4ECYP3A4CYP1A2MAPK1 | |
| SCHEMBL8416177 | 0.80 | CYP3A4 (0.64) | ALDH1A1KDM4ECYP3A4CYP1A2MAPK1 | |
| SCHEMBL499329 | 0.78 | CA9 (0.50) | ALDH1A1KDM4ECYP3A4CYP1A2MAPK1 | |
| SCHEMBL11392013 | 0.76 | MAPK1 (0.57) | ALDH1A1KDM4ECYP3A4CYP1A2MAPK1 | |
| Trioxsalen SCHEMBL1252 | 0.75 | KDM4E (1.00) | ALDH1A1KDM4ECYP3A4CYP1A2MAPK1 | |
| Trioxsalen SCHEMBL4954831 | 0.75 | KDM4E (1.00) | ALDH1A1KDM4ECYP3A4CYP1A2MAPK1 | |
| Trioxsalen SCHEMBL29432841 | 0.75 | KDM4E (1.00) | ALDH1A1KDM4ECYP3A4CYP1A2MAPK1 | |
| SCHEMBL4420514 | 0.75 | ALDH1A1 (0.45) | ALDH1A1KDM4ECYP3A4CYP1A2MAPK1 | |
| Trioxsalen SCHEMBL11442670 | 0.74 | KDM4E (0.97) | ALDH1A1KDM4ECYP3A4CYP1A2MAPK1 | |
| SCHEMBL4178185 | 0.73 | MCL1 (0.66) | ALDH1A1KDM4ECYP3A4CYP1A2MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4950770-A | Psoralens aminomethylation | ELDER PHARMACEUTICALS, INC. (US) | 1990-08-21 | — | — | US | claimed |
| US-4950770-A | Psoralens aminomethylation | ELDER PHARMACEUTICALS, INC. (US) | 1990-08-21 | — | — | US | disclosed |
| US-4235781-A | 6 Or 8 Haloallyl substituted 7-hydroxycoumarins | THOMAS C. ELDER, INC. (US) | 1980-11-25 | — | — | US | disclosed |
| US-4216154-A | CLAISEN REARRANGEMENT OF A 7-HALOALLYL ETHER OF A HYDROXYCOUMARIN | THOMAS C. ELDER, INC. (US) | 1980-08-05 | — | — | US | disclosed |