Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1320539 | 1.00 | CYP1B1 (0.44) | CYP1B1AKR1C3MEN1KMT2ANPC1 | |
| SCHEMBL6387039 | 0.92 | CES2 (0.48) | CYP1B1MEN1KMT2ARAB9AHPGD | |
| SCHEMBL376723 | 0.87 | ALDH1A1 (0.48) | MEN1KMT2AHPGDALDH1A1MAPT | |
| SCHEMBL11285264 | 0.81 | CYP3A4 (0.58) | MEN1KMT2ANPC1RAB9AHPGD | |
| SCHEMBL11285263 | 0.81 | CYP3A4 (0.58) | MEN1KMT2ANPC1RAB9AHPGD | |
| SCHEMBL11288939 | 0.81 | CYP3A4 (0.58) | MEN1KMT2ANPC1RAB9AHPGD | |
| SCHEMBL29016164 | 0.80 | CES2 (0.55) | CYP1B1ALDH1A1MAPTCES2CES1 | |
| SCHEMBL18885235 | 0.80 | CES2 (0.55) | CYP1B1AKR1C3MEN1KMT2ANPC1 | |
| SCHEMBL10579805 | 0.80 | CES2 (0.55) | CYP1B1ALDH1A1MAPTCES2CES1 | |
| SCHEMBL9472917 | 0.79 | SMN1; SMN2 (0.48) | MEN1KMT2ANPC1RAB9AHPGD |
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-3538522-A1 | ROR GAMMA MODULATORS | Bristol-Myers Squibb Company (US) | 2019-09-18 | — | — | EP | disclosed |
| WO-2018089406-A1 | ROR GAMMA MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |