Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9434253 | 1.00 | ALDH1A1 (0.55) | ALDH1A1RAB9ACES2CES1LMNA | |
| SCHEMBL9433789 | 1.00 | ALDH1A1 (0.55) | ALDH1A1RAB9ACES2CES1LMNA | |
| SCHEMBL9434215 | 0.84 | KDM4E (0.54) | ALDH1A1RAB9ACES2CES1LMNA | |
| SCHEMBL20772750 | 0.83 | RAB9A (0.51) | ALDH1A1RAB9ACES2CES1LMNA | |
| SCHEMBL26123546 | 0.83 | RAB9A (0.51) | ALDH1A1RAB9ACES2CES1LMNA | |
| SCHEMBL9433916 | 0.81 | ALDH1A1 (0.51) | ALDH1A1RAB9ACES2CES1LMNA | |
| SCHEMBL9233936 | 0.80 | TDP1 (0.53) | ALDH1A1RAB9ACES2CES1LMNA | |
| SCHEMBL9433499 | 0.80 | ALDH1A1 (0.50) | ALDH1A1RAB9ACES2CES1LMNA | |
| SCHEMBL9434495 | 0.80 | ALDH1A1 (0.50) | ALDH1A1RAB9ACES2CES1LMNA | |
| SCHEMBL9433818 | 0.80 | EGFR (0.55) | ALDH1A1RAB9ACES2CES1LMNA |
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 |