Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7016154 | 0.86 | MEN1 (0.45) | CYP3A4CYP2C9CYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL7009962 | 0.85 | MEN1 (0.44) | CYP3A4CYP2C9CYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL7014757 | 0.85 | MEN1 (0.44) | CYP3A4CYP2C9CYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL7016202 | 0.85 | SMN1; SMN2 (0.47) | CYP3A4CYP2C9CYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL7010368 | 0.84 | SMN1; SMN2 (0.52) | CYP3A4CYP2C9CYP2C19SMN1; SMN2GAA | |
| SCHEMBL7016083 | 0.84 | HPGD (0.47) | CYP3A4CYP2C9CYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL7015431 | 0.83 | SMN1; SMN2 (0.44) | CYP3A4CYP2C9CYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL7016908 | 0.83 | SMN1; SMN2 (0.46) | CYP3A4CYP2C9CYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL7016066 | 0.83 | MEN1 (0.47) | CYP3A4CYP2C9CYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL7015766 | 0.82 | SMN1; SMN2 (0.49) | CYP3A4CYP2C9CYP2C19SMN1; SMN2KMT2A |
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 |