Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16952181 | 0.82 | GRM4 (0.36) | CA2CA12CA1CA7CA9 | |
| SCHEMBL27090 | 0.78 | CA2 (0.54) | CA2CA12CA1CA7CA9 | |
| SCHEMBL2811538 | 0.76 | CA2 (0.41) | CA2CA12CA1CA7CA9 | |
| SCHEMBL482383 | 0.76 | CA2 (0.41) | CA2CA12CA1CA7CA9 | |
| SCHEMBL30776243 | 0.74 | CA12 (0.62) | CA2CA12CA1CA7CA9 | |
| SCHEMBL3864377 | 0.74 | ACHE (0.62) | CA2CA12CA1CA7CA9 | |
| SCHEMBL352907 | 0.74 | MAPT (0.47) | CA2CA12CA1CA7CA9 | |
| SCHEMBL481218 | 0.74 | CA12 (0.62) | CA2CA12CA1CA7CA9 | |
| SCHEMBL5019590 | 0.73 | NFE2L2 (0.46) | CA2CA12CA1CA7CA9 | |
| SCHEMBL258124 | 0.73 | ALDH1A1 (0.52) | CA2CA1NQO1CYP3A4TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3080090-A1 | BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS | Glenmark Pharmaceuticals S.A. (CH) | 2016-10-19 | — | — | EP | disclosed |
| WO-2015087234-A1 | BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2015-06-18 | — | — | WO | disclosed |
| CN-103269592-A | Cyclic amine substituted oxazolidinone cetp inhibitor | MERCK SHARP & DOHME | 2013-08-28 | — | — | CN | disclosed |