Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7785526 | 0.78 | GAA (0.58) | CYP19A1GAABRD4CREBBPKMT2A | |
| SCHEMBL30576378 | 0.78 | CYP19A1 (0.46) | CYP19A1ACHEMAOAMAOBKDM4E | |
| SCHEMBL69719 | 0.78 | CYP19A1 (0.46) | CYP19A1ACHEMAOAMAOBKDM4E | |
| SCHEMBL13928848 | 0.76 | ALDH1A1 (0.46) | CYP19A1ACHEMAOBKDM4EKMT2A | |
| SCHEMBL18952097 | 0.74 | ALDH1A1 (0.46) | GAAMAOBBRD4CREBBPKMT2A | |
| SCHEMBL31409184 | 0.74 | ALDH1A1 (0.46) | GAAMAOBBRD4CREBBPKMT2A | |
| SCHEMBL6251806 | 0.74 | ALDH1A1 (0.46) | GAAMAOBBRD4CREBBPKMT2A | |
| SCHEMBL14077428 | 0.72 | MAOA (0.50) | CYP19A1GAAACHEMAOAMAOB | |
| SCHEMBL8342625 | 0.72 | IL5 (0.33) | — | |
| SCHEMBL11108271 | 0.71 | ESR1 (0.49) | CYP19A1GAAACHEMAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004064842-A1 | AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-08-05 | — | — | WO | disclosed |
| WO-2004014384-A2 | CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |