Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2662131 | 0.76 | LMNA (0.51) | LMNACYP3A4CYP1A2MAOAESR1 | |
| SCHEMBL2643030 | 0.73 | ESR1 (0.49) | LMNACYP3A4CYP1A2MAOAESR1 | |
| SCHEMBL14670196 | 0.72 | LMNA (0.57) | LMNACYP3A4CYP1A2MAOAESR1 | |
| Trifluoroacetic Acid SCHEMBL2643875 | 0.72 | DPP4 (0.47) | LMNACYP3A4CYP1A2MAOAESR1 | |
| SCHEMBL20178549 | 0.71 | CA1 (0.50) | LMNACYP3A4CYP1A2MAOAESR1 | |
| SCHEMBL22013217 | 0.71 | LMNA (0.65) | LMNACYP3A4CYP1A2MAOAESR1 | |
| SCHEMBL828579 | 0.70 | CA1 (0.66) | LMNACYP3A4CYP1A2MAOAESR1 | |
| SCHEMBL4642629 | 0.70 | CA12 (0.56) | LMNACYP3A4CYP1A2MAOAESR1 | |
| SCHEMBL20963134 | 0.70 | CA1 (0.56) | LMNACYP3A4CYP1A2MAOAESR1 | |
| SCHEMBL11962624 | 0.70 | CA1 (0.56) | LMNACYP3A4CYP1A2MAOAESR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1940799-A1 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007047676-A1 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2007-04-26 | — | — | WO | disclosed |