Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 4/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 3/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22254200 | 0.82 | PARP1 (0.40) | NOS1ROCK2 | |
| SCHEMBL22995728 | 0.82 | XDH (0.42) | ROCK2MEN1KMT2A | |
| SCHEMBL14137 | 0.81 | MC4R (0.42) | NOS1ROCK2CHRM2 | |
| SCHEMBL22254230 | 0.73 | ROCK2 (0.44) | ROCK2HDAC1 | |
| SCHEMBL14373 | 0.73 | ROCK2 (0.41) | ROCK2HDAC1MEN1KMT2A | |
| SCHEMBL31177919 | 0.72 | CA1 (0.69) | CA1CA2CA12CA9ROCK1 | |
| SCHEMBL11881942 | 0.72 | CA1 (0.69) | CA1CA2CA12CA9ROCK1 | |
| SCHEMBL22249181 | 0.72 | ROCK2 (0.46) | ROCK1ROCK2DRD4 | |
| SCHEMBL22248696 | 0.71 | ROCK2 (0.43) | ROCK2 | |
| SCHEMBL22248942 | 0.70 | ROCK2 (0.42) | ROCK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3082805-B1 | SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME | INST FOR DRUG DISCOVERY LLC (US) | 2020-02-05 | — | — | EP | disclosed |