Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.56 |
| ▸ | BACE1 | P56817 | 1/20 | 0.53 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.49 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.49 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.49 |
| ▸ | SLC6A19 | Q695T7 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9434748 | 0.86 | CYP1A1 (0.62) | CYP1A2CYP1B1CYP1A1HDAC4MEF2D | |
| SCHEMBL9434018 | 0.85 | TBXAS1 (0.56) | CYP1A2CYP2D6CYP1B1CYP3A4CYP1A1 | |
| SCHEMBL9433864 | 0.85 | NAPRT (0.47) | CYP1A2CYP2D6CYP1B1CYP3A4CYP1A1 | |
| SCHEMBL9434440 | 0.85 | LMNA (0.47) | CYP1A2CYP2D6CYP1B1CYP3A4CYP1A1 | |
| SCHEMBL15943749 | 0.84 | HSD17B3 (0.61) | CYP2D6CYP1B1BACE1HSD17B3HDAC4 | |
| SCHEMBL9434590 | 0.81 | P4HB (0.58) | MAPTLMNAKMT2APKMMAOA | |
| SCHEMBL9434552 | 0.81 | P4HB (0.48) | HDAC4MEF2DMAPTLMNANAPRT | |
| SCHEMBL9434737 | 0.81 | ALDH1A1 (0.52) | CYP1A2CYP2D6CYP1B1CYP3A4CYP1A1 | |
| SCHEMBL9433920 | 0.81 | TBXAS1 (0.56) | CYP1A2CYP2D6CYP1B1CYP3A4CYP1A1 | |
| SCHEMBL7382581 | 0.81 | TGM2 (0.66) | MAPTLMNAKDM4ENPC1MAPK1 |
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-5276150-A | Vasodilators, anticoagulants, calcium channel blockers | FUJIREBIO INC. (JP) | 1994-01-04 | — | — | US | disclosed |
| EP-0400660-A1 | 1,4-dihydropyridine derivatives | FUJIREBIO INC. (JP) | 1990-12-05 | — | — | EP | disclosed |