Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8261724 | 0.88 | CYP2C9 (0.40) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8264301 | 0.76 | CACNA1G (0.33) | KDM4EOPRM1LMNA | |
| SCHEMBL8265922 | 0.71 | LMNA (0.38) | ALDH1A1KDM4ECYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14051069 | 0.71 | MTNR1A (0.38) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28780260 | 0.71 | OPRM1 (0.37) | OPRM1OPRK1OPRL1HTR6 | |
| SCHEMBL8235627 | 0.70 | CYP2C9 (0.41) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8263920 | 0.70 | POLB (0.38) | ALDH1A1CYP2D6CYP2C9CYP2C19KMT2A | |
| SCHEMBL14572801 | 0.70 | CYP2D6 (0.43) | ALDH1A1KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27619328 | 0.69 | MEN1 (0.34) | ALDH1A1KDM4ERECQLKMT2AMEN1 | |
| SCHEMBL8264266 | 0.68 | HTT (0.38) | ALDH1A1CYP2D6CYP2C9CYP2C19HTR2A |
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-2006074924-A1 | 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES | NOVARTIS AG (CH) | 2006-07-20 | — | — | WO | disclosed |