Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | DUT | P33316 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | VHL | P40337 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 2/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.32 |
| ▸ | KDR | P35968 | 2/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | INSR | P06213 | 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 | |
|---|---|---|---|---|
| SCHEMBL16275992 | 0.76 | NR1I2 (0.40) | NR1I2CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL22288350 | 0.75 | MEN1 (0.43) | NR1I2CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL16276026 | 0.74 | NR1I2 (0.40) | NR1I2CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL16275991 | 0.74 | NR1I2 (0.40) | NR1I2CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL2091650 | 0.73 | PPARA (0.50) | NR1I2CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL8063404 | 0.72 | DUT (0.43) | DUT | |
| SCHEMBL9667721 | 0.72 | MEN1 (0.42) | NR1I2CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL18256110 | 0.72 | MEN1 (0.46) | NR1I2CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL8563887 | 0.72 | VHL (0.42) | NR1I2CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL11032320 | 0.72 | MEN1 (0.51) | NR1I2CYP3A4CYP2D6MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0871624-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | Merck & Co., Inc. (US) | 1998-10-21 | — | — | EP | disclosed |
| WO-1997021703-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO., INC. (US) | 1997-06-19 | — | — | WO | disclosed |