Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | SLC16A3 | O15427 | 3/20 | 0.34 |
| ▸ | SLC16A1 | P53985 | 2/20 | 0.34 |
| ▸ | MCTS1 | Q9ULC4 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3573464 | 0.72 | SIRT2 (0.49) | ALDH1A1CYP1A2CYP2C19MEN1CYP2C9 | |
| SCHEMBL3148117 | 0.71 | P2RX7 (0.37) | L3MBTL1 | |
| SCHEMBL22412880 | 0.69 | MEN1 (0.39) | ALDH1A1IDH1CYP1A2CYP2C19MEN1 | |
| Alcohol SCHEMBL6432975 | 0.69 | SIRT2 (0.47) | ALDH1A1NPC1 | |
| SCHEMBL7755231 | 0.69 | SLC16A3 (0.47) | ALDH1A1IDH1CYP1A2CYP2C19MEN1 | |
| SCHEMBL7713289 | 0.68 | SIRT2 (0.46) | ALDH1A1NPC1 | |
| SCHEMBL7713293 | 0.68 | ALDH1A1 (0.40) | ALDH1A1IDH1CYP1A2CYP2C19MEN1 | |
| SCHEMBL1199662 | 0.68 | MAPK1 (0.36) | ALDH1A1IDH1CYP1A2CYP2C19MEN1 | |
| SCHEMBL16620077 | 0.68 | ALDH1A1 (0.37) | ALDH1A1IDH1CYP1A2CYP2C19MEN1 | |
| SCHEMBL17084220 | 0.68 | ELANE (0.38) | ALDH1A1IDH1CYP1A2CYP2C19MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4157331-A | SEDATIVES, TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS | HOFFMANN-LA ROCHE INC. (US) | 1979-06-05 | — | — | US | disclosed |
| US-4153799-A | ANXIOLYTICS, SEDATIVES, ANTICONVULSANTS, MUSCLE RELAXANTS, PYRAZOLE INTERMEDIATES | HOFFMANN-LA ROCHE INC. (US) | 1979-05-08 | — | — | US | disclosed |
| US-4130716-A | ANXIOLYTICS, SEDATIVE, MUSCLE RELAXANT, ANTICONVULSANT | HOFFMANN-LA ROCHE INC. (US) | 1978-12-19 | — | — | US | disclosed |