Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 10/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14318501 | 0.85 | CA2 (0.56) | CYP19A1ALDH1A1 | |
| SCHEMBL14443028 | 0.82 | KMT2A (0.56) | KDM4EPOLBTSHRRECQLKMT2A | |
| SCHEMBL13462548 | 0.81 | CYP19A1 (0.51) | CYP19A1BRD4KDM4EPOLBTSHR | |
| SCHEMBL27811793 | 0.81 | CYP19A1 (0.51) | CYP19A1BRD4KDM4EPOLBTSHR | |
| SCHEMBL12940395 | 0.80 | BRD4 (0.45) | CYP19A1BRD4KDM4EPOLBTSHR | |
| SCHEMBL19808137 | 0.78 | CYP19A1 (0.43) | CYP19A1BRD4KDM4EPOLBTSHR | |
| SCHEMBL8539519 | 0.78 | GABRA1 (0.50) | — | |
| SCHEMBL8265344 | 0.77 | CYP19A1 (0.56) | CYP19A1BRD4KDM4EPOLBTSHR | |
| SCHEMBL10209790 | 0.77 | NR3C1 (0.52) | KDM4EPOLBALDH1A1 | |
| SCHEMBL12649826 | 0.76 | TP53 (0.58) | CYP19A1BRD4KDM4EPOLBTSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012174362-A1 | PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS | RESEARCH TRIANGLE INSTITUTE (US) | 2012-12-20 | — | — | WO | disclosed |