Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 10/20 | 0.56 |
| ▸ | CYP11B2 | P19099 | 10/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.56 |
| ▸ | CNR2 | P34972 | 1/20 | 0.51 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18448782 | 0.87 | CYP19A1 (0.54) | CYP11B1CYP11B2CYP19A1CNR2PIN1 | |
| SCHEMBL28632021 | 0.84 | MEN1 (0.46) | CYP11B1CYP11B2CYP19A1CNR2PIN1 | |
| SCHEMBL18448289 | 0.80 | NPC1 (0.55) | CYP11B1CYP11B2 | |
| SCHEMBL18448787 | 0.79 | CYP11B1 (0.39) | CYP11B1CYP11B2CYP19A1CNR2ALDH1A1 | |
| SCHEMBL28642927 | 0.77 | ALDH1A1 (0.40) | CYP11B1CYP11B2CYP19A1CNR2ALDH1A1 | |
| SCHEMBL18447787 | 0.77 | KMT2A (0.55) | ALDH1A1POLBMAPTIDO1 | |
| SCHEMBL18448545 | 0.76 | MAPT (0.57) | ALDH1A1MAPTIDO1 | |
| SCHEMBL11292187 | 0.76 | KCNH2 (0.61) | ALDH1A1MAPT | |
| SCHEMBL28627402 | 0.76 | S1PR4 (0.43) | CYP11B1CYP11B2CYP19A1ALDH1A1MAPT | |
| SCHEMBL18448239 | 0.76 | ALDH1A1 (0.49) | ALDH1A1POLBMAPT |
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-3331863-A1 | NOVEL COMPOUNDS AS ROR GAMMA MODULATORS | Glenmark Pharmaceuticals S.A. (CH) | 2018-06-13 | — | — | EP | disclosed |
| WO-2017021879-A1 | NOVEL COMPOUNDS AS ROR GAMMA MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2017-02-09 | — | — | WO | disclosed |