Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 3/20 | 0.35 |
| ▸ | BRD9 | Q9H8M2 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | BPTF | Q12830 | 4/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7013194 | 0.78 | LMNA (0.33) | RAB9ANPC1LMNACYP1A2CYP3A4 | |
| SCHEMBL4161199 | 0.78 | ALDH1A1 (0.40) | ALDH1A1RAB9ANPC1LMNACYP1A2 | |
| SCHEMBL2544338 | 0.74 | RAB9A (0.55) | ALDH1A1RAB9ANPC1LMNACYP1A2 | |
| SCHEMBL2185834 | 0.71 | HIF1A (0.40) | ALDH1A1RAB9ANPC1LMNACYP1A2 | |
| SCHEMBL2328886 | 0.70 | CNR2 (0.69) | CNR1CNR2 | |
| SCHEMBL7011309 | 0.69 | KAT2B (0.37) | ALDH1A1RAB9ANPC1LMNACYP1A2 | |
| SCHEMBL2187594 | 0.67 | POLB (0.44) | ALDH1A1NPC1LMNACYP3A4SMN1; SMN2 | |
| SCHEMBL2187047 | 0.67 | RAB9A (0.41) | ALDH1A1RAB9ANPC1CYP1A2SMN1; SMN2 | |
| SCHEMBL4165192 | 0.67 | BPTF (0.40) | ALDH1A1RAB9ANPC1LMNACYP1A2 | |
| SCHEMBL21232989 | 0.66 | SMPD3 (0.40) | ALDH1A1RAB9ANPC1LMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0733633-B1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| US-5753664-A | ANTITUMOR AGENTS, PYRIMIDONES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |