Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | CA12 | O43570 | 1/20 | 0.61 |
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | CA2 | P00918 | 1/20 | 0.61 |
| ▸ | CA4 | P22748 | 1/20 | 0.61 |
| ▸ | CA6 | P23280 | 1/20 | 0.61 |
| ▸ | CA7 | P43166 | 1/20 | 0.61 |
| ▸ | TPMT | P51580 | 1/20 | 0.61 |
| ▸ | CA9 | Q16790 | 1/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29415167 | 0.88 | MAPK1 (0.77) | MAPK1CA12CA1CA2CA4 | |
| SCHEMBL335681 | 0.88 | MAPK1 (0.77) | MAPK1CA12CA1CA2CA4 | |
| Hydrochloric Acid SCHEMBL5154533 | 0.86 | MAPK1 (0.74) | MAPK1CA12CA1CA2CA4 | |
| SCHEMBL17656092 | 0.81 | MAPK1 (0.68) | MAPK1CA12CA1CA2CA4 | |
| SCHEMBL7245111 | 0.81 | TSHR (0.63) | MAPK1CA12CA1CA2CA4 | |
| SCHEMBL29645036 | 0.81 | TSHR (0.63) | MAPK1CA12CA1CA2CA4 | |
| SCHEMBL628125 | 0.80 | MAPK1 (0.54) | MAPK1CA12CA1CA2CA4 | |
| SCHEMBL4280304 | 0.80 | MAPK1 (0.61) | MAPK1CA12CA1CA2CA4 | |
| SCHEMBL29824542 | 0.79 | KDM4E (0.61) | MAPK1CA12CA1CA2CA4 | |
| Hydrochloric Acid SCHEMBL7840484 | 0.79 | MAPK1 (0.53) | MAPK1CA12CA1CA2CA4 |
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-2114869-A1 | RHO KINASE INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008086047-A1 | RHO KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-07-17 | — | — | WO | disclosed |