Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9734347 | 1.00 | PKM (0.47) | PKMALDH1A1CTBP2CYP1A2CYP3A4 | |
| SCHEMBL5352600 | 0.81 | ALDH1A1 (0.40) | PKMALDH1A1CTBP2CYP1A2CYP3A4 | |
| SCHEMBL5352596 | 0.81 | ALDH1A1 (0.40) | PKMALDH1A1CTBP2CYP1A2CYP3A4 | |
| SCHEMBL29195804 | 0.81 | ALDH1A1 (0.46) | PKMALDH1A1CTBP2CYP1A2CYP3A4 | |
| SCHEMBL513530 | 0.76 | PKM (0.53) | PKMALDH1A1CTBP2CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL5342849 | 0.75 | ALDH1A1 (0.44) | PKMALDH1A1CTBP2CYP1A2CYP3A4 | |
| SCHEMBL7642355 | 0.73 | ALDH1A1 (0.50) | PKMALDH1A1CTBP2CYP1A2CYP3A4 | |
| SCHEMBL20543800 | 0.72 | CTBP2 (0.63) | ALDH1A1CTBP2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20543801 | 0.72 | CTBP2 (0.63) | ALDH1A1CTBP2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9710811 | 0.71 | PKM (0.49) | PKMCTBP2MAPTMAPK1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5098922-A | Anticonvulsants | CIBA-GEIGY CORPORATION (US) | 1992-03-24 | — | — | US | disclosed |
| US-5045556-A | Aralkyl-4H-1,2,4-triazole derivatives | CIBA-GEIGY CORPORATION (US) | 1991-09-03 | — | — | US | disclosed |