Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19661590 | 0.88 | CMA1 (0.46) | CMA1LMNAHTTMTNR1AMTNR1B | |
| SCHEMBL21768494 | 0.78 | MAPT (0.48) | CMA1LMNAHTTMTNR1AMTNR1B | |
| SCHEMBL17912914 | 0.70 | MAPT (0.57) | CMA1LMNATSHRMAPTTP53 | |
| SCHEMBL22241408 | 0.70 | ROCK2 (0.49) | CMA1LMNAHTTMTNR1AMTNR1B | |
| SCHEMBL17920343 | 0.70 | ROCK2 (0.49) | CMA1LMNAHTTMTNR1AMTNR1B | |
| SCHEMBL17912978 | 0.70 | MAPT (0.57) | CMA1LMNATSHRMAPTTP53 | |
| SCHEMBL19759551 | 0.70 | CMA1 (0.50) | CMA1LMNAHTTMTNR1AMTNR1B | |
| SCHEMBL17920295 | 0.68 | ROCK2 (0.47) | CMA1LMNAHTTMTNR1AMTNR1B | |
| SCHEMBL19643602 | 0.68 | ROCK2 (0.60) | CMA1LMNAHTTPIK3R1PIK3CA | |
| SCHEMBL17912992 | 0.68 | PKM (0.79) | CMA1LMNAHTTMTNR1AMTNR1B |
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-3464262-B1 | TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2020-02-26 | — | — | EP | disclosed |
| WO-2017205709-A1 | TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-11-30 | — | — | WO | disclosed |