Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.62 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 2/20 | 0.49 |
| ▸ | MMP2 | P08253 | 2/20 | 0.49 |
| ▸ | MMP9 | P14780 | 2/20 | 0.49 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.47 |
| ▸ | P4HB | P07237 | 1/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9434693 | 0.86 | CYP1A2 (0.56) | CYP1A1CYP1A2CYP1B1ALDH1A1LMNA | |
| SCHEMBL9433864 | 0.86 | NAPRT (0.47) | CYP1A1CYP1A2CYP1B1USP2ALDH1A1 | |
| SCHEMBL9434440 | 0.86 | LMNA (0.47) | CYP1A1CYP1A2CYP1B1ALDH1A1LMNA | |
| SCHEMBL9433826 | 0.85 | TBXAS1 (0.57) | CYP1A1CYP1A2CYP1B1THRBMMP1 | |
| SCHEMBL9434664 | 0.85 | ALDH1A1 (0.72) | CYP1A1CYP1A2CYP1B1ALDH1A1LMNA | |
| SCHEMBL9434552 | 0.83 | P4HB (0.48) | ALDH1A1LMNANAPRTHDAC4MEF2D | |
| SCHEMBL9434737 | 0.83 | ALDH1A1 (0.52) | CYP1A1CYP1A2CYP1B1USP2ALDH1A1 | |
| SCHEMBL9434590 | 0.83 | P4HB (0.58) | LMNATHRBP4HBMAPTKMT2A | |
| SCHEMBL9433920 | 0.82 | TBXAS1 (0.56) | CYP1A1CYP1A2CYP1B1THRBNAPRT | |
| SCHEMBL7382581 | 0.82 | TGM2 (0.66) | ALDH1A1LMNASMN1; SMN2MAPTRAB9A |
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 |