Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.56 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.56 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.56 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11636823 | 0.92 | CYP19A1 (0.54) | CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6 | |
| SCHEMBL409343 | 0.87 | ALDH1A1 (0.59) | CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6 | |
| SCHEMBL11634674 | 0.87 | CYP19A1 (0.58) | CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6 | |
| Hydrochloric Acid SCHEMBL408521 | 0.86 | ALDH1A1 (0.58) | CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6 | |
| SCHEMBL11288007 | 0.86 | CYP19A1 (0.59) | CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6 | |
| SCHEMBL11750803 | 0.86 | CYP19A1 (0.59) | CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4 | |
| SCHEMBL11286228 | 0.82 | CYP19A1 (0.55) | CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6 | |
| SCHEMBL11280325 | 0.81 | CYP19A1 (0.54) | CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6 | |
| SCHEMBL11275221 | 0.81 | CYP19A1 (0.54) | CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6 | |
| SCHEMBL10925350 | 0.80 | CYP19A1 (0.55) | CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6 |
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-4078071-A | FUNGICIDES, BACTERICIDES, ANTIPROTOZOA AGENTS | SYNTEX (U.S.A.) INC. (US) | 1978-03-07 | — | — | US | disclosed |