Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 6/20 | 0.43 |
| ▸ | CA1 | P00915 | 6/20 | 0.43 |
| ▸ | CA9 | Q16790 | 6/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL8897227 | 0.82 | MAOA (0.50) | HTTCYP3A4HSD17B10CYP2A6KDM4E | |
| SCHEMBL10336303 | 0.80 | HTT (0.48) | HTTCYP3A4HSD17B10CYP2A6KDM4E | |
| SCHEMBL6272780 | 0.79 | CA12 (0.57) | CYP3A4CYP2A6KDM4ECA12CA1 | |
| SCHEMBL3447032 | 0.79 | MAOA (0.47) | HTTCYP3A4HSD17B10CYP2A6KDM4E | |
| SCHEMBL1301705 | 0.77 | CYP3A4 (0.62) | HTTCYP3A4HSD17B10CYP2A6KDM4E | |
| SCHEMBL14152660 | 0.76 | KCNA3 (0.51) | HTTCYP3A4HSD17B10CYP2A6KDM4E | |
| SCHEMBL8524165 | 0.76 | MAOA (0.38) | CYP3A4CYP2A6KDM4ECYP2D6MAOA | |
| SCHEMBL7877813 | 0.74 | SIGMAR1 (0.49) | HTTCYP3A4HSD17B10CYP2A6KDM4E | |
| SCHEMBL9222018 | 0.73 | NDUFS8 (0.43) | HTTCYP3A4HSD17B10CYP2A6KDM4E | |
| SCHEMBL8524525 | 0.72 | HTT (0.38) | HTTCYP3A4HSD17B10CYP2A6KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001053301-A1 | CHIMERIC MOLECULES CONSISTING OF PSORALEN AND RETINOID, PREPARATION METHOD, USES THEREOF FOR TREATING CELL HYPERPROLIFERATION PATHOLOGIES AND IN PARTICULAR PSORIASIS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2001-07-26 | — | — | WO | disclosed |