Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7338035 | 0.75 | CYP19A1 (0.48) | CYP19A1RAB9ASMN1; SMN2GAAMMP13 | |
| SCHEMBL7338709 | 0.75 | CYP19A1 (0.48) | CYP19A1RAB9ASMN1; SMN2GAAMMP13 | |
| SCHEMBL7320593 | 0.70 | ACE (0.56) | CYP19A1HRH3ALDH1A1 | |
| SCHEMBL7405338 | 0.70 | ACE (0.56) | CYP19A1HRH3ALDH1A1 | |
| SCHEMBL1830233 | 0.69 | DDB1 (0.45) | CYP19A1RAB9AGAAALDH1A1MAPT | |
| SCHEMBL4871724 | 0.69 | SMN1; SMN2 (0.47) | CYP19A1RAB9ASMN1; SMN2GAAMMP13 | |
| SCHEMBL8200347 | 0.68 | LOXL2 (0.48) | CYP19A1SMN1; SMN2HRH3TDP1L3MBTL1 | |
| SCHEMBL1366084 | 0.66 | LOXL2 (0.42) | CYP19A1SMN1; SMN2HRH3TDP1L3MBTL1 | |
| SCHEMBL18253935 | 0.64 | KDM4E (0.53) | CYP19A1RAB9ASMN1; SMN2GAAALDH1A1 | |
| SCHEMBL2198020 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5686607-A | Pyridyl ethylation of lactam derivatives | MERCK & CO., INC. (US) | 1997-11-11 | — | — | US | disclosed |