Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL828897 | 0.81 | OPRL1 (0.31) | OPRL1 | |
| SCHEMBL8285564 | 0.80 | CYP11B1 (0.38) | CYP11B1CYP11B2OPRL1 | |
| SCHEMBL20825128 | 0.79 | — | — | |
| SCHEMBL24254233 | 0.74 | P2RX7 (0.33) | OPRL1 | |
| SCHEMBL19933159 | 0.72 | — | — | |
| SCHEMBL13662468 | 0.72 | S100A4 (0.32) | — | |
| SCHEMBL30485647 | 0.69 | BRD4 (0.38) | CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL2875769 | 0.69 | BRD4 (0.38) | CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL21696801 | 0.69 | OPRL1 (0.32) | OPRL1 | |
| SCHEMBL829205 | 0.69 | P2RX7 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2125735-B1 | 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION | ADVINUS THERAPEUTICS PRIVATE LTD (IN) | 2012-06-27 | — | — | EP | disclosed |
| WO-2012034038-A2 | DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2012-03-15 | — | — | WO | disclosed |
| EP-2201947-A2 | Use of SAHA for treating mesothelioma | Merck HDAC Research, LLC (US) | 2010-06-30 | — | — | EP | disclosed |