Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8331541 | 0.88 | SIGMAR1 (0.38) | CYP1A2MEN1KMT2AATML3MBTL1 | |
| SCHEMBL8329421 | 0.85 | METAP2 (0.40) | MEN1KMT2AATML3MBTL1MAPT | |
| SCHEMBL8327178 | 0.84 | BCHE (0.39) | MEN1KMT2ATSHRATML3MBTL1 | |
| SCHEMBL5413788 | 0.83 | KDM4E (0.38) | CYP1A2MEN1KMT2AATML3MBTL1 | |
| SCHEMBL8331369 | 0.81 | MEN1 (0.36) | MEN1KMT2ATSHRATML3MBTL1 | |
| SCHEMBL11000103 | 0.81 | CYP1A2 (0.47) | CYP1A2NAAABCHE | |
| SCHEMBL7046038 | 0.80 | METAP2 (0.38) | CYP1A2MEN1KMT2ATSHRATM | |
| SCHEMBL11465149 | 0.80 | CYP1A2 (0.43) | CYP1A2MEN1KMT2AATML3MBTL1 | |
| SCHEMBL8328919 | 0.80 | EPHX1 (0.46) | MEN1KMT2ATSHRALDH1A1METAP2 | |
| SCHEMBL7781964 | 0.79 | MEN1 (0.47) | CYP1A2MEN1KMT2AATML3MBTL1 |
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-4522948-A | SPERMICIDAL AND SPERMATOSTATIC AGENTS | SYNTEX (U.S.A.) INC. (US) | 1985-06-11 | — | — | US | disclosed |
| EP-0064245-A1 | Spermicidal substituted 1-(cycloalkyl)alkylimidazoles | SYNTEX (U.S.A.) INC. (US) | 1982-11-10 | — | — | EP | disclosed |