Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | REN | P00797 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SHBG | P04278 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11001369 | 1.00 | CYP1A2 (0.38) | CYP1A2ALDH1A1KMT2ACTSKCTSL | |
| SCHEMBL10998666 | 0.98 | CYP1A2 (0.34) | CYP1A2ALDH1A1KMT2ACTSKCTSL | |
| SCHEMBL16896984 | 0.89 | CYP1A2 (0.39) | CYP1A2ALDH1A1KMT2ACTSKCTSL | |
| SCHEMBL11001837 | 0.89 | CYP1A2 (0.44) | CYP1A2ALDH1A1KMT2ACTSKCTSL | |
| SCHEMBL11003542 | 0.89 | CYP1A2 (0.39) | CYP1A2ALDH1A1KMT2ACTSKCTSL | |
| SCHEMBL16896981 | 0.87 | CYP1A2 (0.38) | CYP1A2ALDH1A1KMT2ACTSKCTSL | |
| SCHEMBL16896972 | 0.87 | CYP1A2 (0.38) | CYP1A2ALDH1A1KMT2ACTSKCTSL | |
| SCHEMBL11003161 | 0.87 | CYP1A2 (0.36) | CYP1A2ALDH1A1KMT2ACTSKCTSL | |
| SCHEMBL11003889 | 0.86 | CYP1A2 (0.39) | CYP1A2ALDH1A1KMT2ACTSKCTSL | |
| SCHEMBL13757827 | 0.86 | SHBG (0.35) | CYP1A2ALDH1A1KMT2ACTSKCTSL |
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 |