Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MTOR | P42345 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | GMNN | O75496 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11270574 | 0.89 | CYP3A4 (0.47) | CYP3A4TSHRTP53CYP1A2CYP2C9 | |
| SCHEMBL11261162 | 0.89 | MEN1 (0.50) | CYP3A4TSHRTP53CYP1A2CYP2C9 | |
| SCHEMBL11270311 | 0.87 | CYP19A1 (0.50) | CYP19A1QPCTCYP11B1HMOX1 | |
| SCHEMBL11266796 | 0.87 | QPCT (0.45) | CYP19A1QPCTHMOX1 | |
| SCHEMBL11253331 | 0.86 | CYP3A4 (0.45) | CYP3A4TSHRTP53CYP1A2CYP2C9 | |
| SCHEMBL11262523 | 0.85 | CYP3A4 (0.45) | CYP3A4TSHRTP53CYP1A2CYP2C9 | |
| SCHEMBL11289197 | 0.85 | MEN1 (0.48) | CYP3A4TSHRTP53CYP1A2CYP2C9 | |
| SCHEMBL11261249 | 0.84 | HMOX1 (0.58) | MAPK1CYP19A1CYP11B1HMOX1 | |
| SCHEMBL11270723 | 0.84 | CYP2A6 (0.51) | CYP19A1CYP11B1HMOX1 | |
| SCHEMBL11268126 | 0.84 | HMOX1 (0.48) | CYP3A4CYP1A2CYP2D6MAPTCYP19A1 |
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-4359475-A | SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS | SYNTEX (U.S.A.) INC. (US) | 1982-11-16 | — | — | US | disclosed |