Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 7/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17876522 | 0.94 | CYP2C9 (0.53) | CYP2C9CYP2C19CYP3A4KMT2AMEN1 | |
| SCHEMBL17876504 | 0.88 | CYP2C9 (0.54) | CYP2C9CYP2C19CYP3A4SMN1; SMN2ACE2 | |
| SCHEMBL17876454 | 0.88 | CYP2C9 (0.56) | CYP2C9CYP2C19CYP3A4KMT2AMEN1 | |
| SCHEMBL17876461 | 0.87 | CYP2C9 (0.54) | CYP2C9CYP2C19CYP3A4KMT2AMEN1 | |
| SCHEMBL23655788 | 0.87 | CYP2C9 (0.57) | CYP2C9CYP2C19CYP3A4ACE2TP53 | |
| SCHEMBL17876698 | 0.87 | CYP2C9 (0.53) | CYP2C9CYP2C19CYP3A4SMN1; SMN2ACE2 | |
| SCHEMBL17876670 | 0.87 | CYP2C9 (0.61) | CYP2C9CYP2C19CYP3A4SMN1; SMN2ACE2 | |
| SCHEMBL17876520 | 0.87 | CYP2C9 (0.53) | CYP2C9CYP2C19CYP3A4KMT2AMEN1 | |
| SCHEMBL17876449 | 0.86 | CYP2C9 (0.58) | CYP2C9CYP2C19CYP3A4KMT2AMEN1 | |
| SCHEMBL23655609 | 0.86 | CYP2C9 (0.60) | CYP2C9CYP2C19CYP3A4SMN1; SMN2ACE2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3027615-B1 | ANTI-INFECTIVE COMPOUNDS | PASTEUR INSTITUT KOREA (KR) | 2021-07-21 | — | — | EP | disclosed |