Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.53 |
| ▸ | CA2 | P00918 | 7/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ESRRG | P62508 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL937704 | 0.96 | TDP1 (0.53) | CA1CA2TDP1SIGMAR1MEN1 | |
| SCHEMBL7465537 | 0.87 | ESRRG (0.58) | CA1CA2TDP1SIGMAR1MEN1 | |
| SCHEMBL22996211 | 0.87 | CA1 (0.54) | CA1CA2TDP1SIGMAR1MEN1 | |
| SCHEMBL22996206 | 0.87 | CA1 (0.54) | CA1CA2TDP1SIGMAR1MEN1 | |
| SCHEMBL2551512 | 0.85 | CA1 (0.53) | CA1CA2TDP1SIGMAR1MEN1 | |
| SCHEMBL3437047 | 0.85 | GAA (0.56) | CA1CA2TDP1SIGMAR1MEN1 | |
| SCHEMBL6833896 | 0.85 | CA1 (0.53) | CA1CA2TDP1SIGMAR1MEN1 | |
| SCHEMBL4039313 | 0.85 | CA1 (0.56) | CA1CA2TDP1SIGMAR1MEN1 | |
| SCHEMBL21077910 | 0.85 | DRD2 (0.55) | CA1CA2TDP1SIGMAR1MEN1 | |
| SCHEMBL4583683 | 0.85 | POLB (0.65) | TDP1SIGMAR1MEN1GAAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-1997048676-A1 | TRIPHENYLALKYL ANTIMICROBIAL AGENTS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-12-24 | — | — | WO | disclosed |
| US-5643950-A | INHIBITORS OF A BACTERIAL HISTIDINE PROTEIN KINASE | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-07-01 | — | — | US | disclosed |