Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MC4R | P32245 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4758350 | 1.00 | IDO1 (0.73) | IDO1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7213383 | 0.98 | IDO1 (0.71) | IDO1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5756094 | 0.81 | CYP1A2 (0.54) | IDO1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL12847327 | 0.81 | CYP3A4 (0.54) | IDO1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL27650693 | 0.81 | SLC6A3 (0.53) | IDO1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL28839912 | 0.80 | CYP1A2 (0.57) | IDO1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL5754933 | 0.80 | CYP3A4 (0.53) | IDO1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL27587668 | 0.80 | CYP1A2 (0.57) | IDO1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL12847334 | 0.80 | CYP1A2 (0.57) | IDO1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL5758457 | 0.79 | CYP3A4 (0.56) | IDO1CYP1A2CYP3A4CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019113312-A1 | ANTICANCER COMPOUND PROCESS | INNOCRIN PHARMACEUTICALS, INC. (US) | 2019-06-13 | — | — | WO | disclosed |