Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLS | O94925 | 2/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL17902840 | 1.00 | GLS (0.42) | GLSROCK2ROCK1NQO2EGFR | |
| SCHEMBL16089568 | 0.88 | GLS (0.42) | GLSCA1CA2BRD4CREBBP | |
| SCHEMBL16099783 | 0.88 | GLS (0.42) | GLSCA1CA2BRD4CREBBP | |
| SCHEMBL206551 | 0.88 | GLS (0.44) | GLSCA1CA2BRD4CREBBP | |
| SCHEMBL18805056 | 0.88 | GLS (0.42) | GLSCA1CA2BRD4CREBBP | |
| SCHEMBL15125610 | 0.87 | CTSB (0.47) | GLSCA1CA2BRD4CREBBP | |
| SCHEMBL19639379 | 0.87 | GLS (0.41) | GLSROCK2ROCK1CA1CA2 | |
| SCHEMBL19651943 | 0.86 | CA1 (0.51) | CA1CA2GAAHDAC1CA12 | |
| SCHEMBL17902822 | 0.86 | CA1 (0.51) | CA1CA2GAAHDAC1CA12 | |
| SCHEMBL22227454 | 0.86 | NR1H4 (0.51) | GLSROCK2ROCK1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5874436-A | EFFECTIVE IN INHIBITING THE ACTION OF A BACTERIAL HISTIDINE PROTEIN KINASE; USEFUL AGAINST ANTIBIOTIC RESISTANT ORGANISMS | DEMERS JAMES P (US) | 1999-02-23 | — | — | US | disclosed |
| US-5643950-A | INHIBITORS OF A BACTERIAL HISTIDINE PROTEIN KINASE | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-07-01 | — | — | US | disclosed |