Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA7 | P43166 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1806544 | 0.77 | TYR (0.44) | TYRCES2CA12CA1CA2 | |
| SCHEMBL16836085 | 0.74 | TYR (0.46) | TYRCES2CA12CA1CA2 | |
| SCHEMBL27536509 | 0.72 | TYR (0.52) | TYRCES2CA12CA1CA2 | |
| SCHEMBL16601483 | 0.71 | ESR1 (0.50) | CES2CA12CA1CA2CA7 | |
| SCHEMBL15688118 | 0.71 | TYR (0.46) | TYRCES2CA12CA1CA2 | |
| SCHEMBL29429345 | 0.71 | TYR (0.55) | TYRCES2CA12CA1CA2 | |
| SCHEMBL490490 | 0.71 | TYR (0.55) | TYRCES2CA12CA1CA2 | |
| SCHEMBL9279565 | 0.70 | TSHR (0.41) | TSHRCYP3A4MAPT | |
| SCHEMBL25782343 | 0.70 | CES2 (0.37) | CES2CA1CA2CA9CA14 | |
| SCHEMBL51618 | 0.70 | TYR (0.70) | TYRCA12CA1CA2CA7 |
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-3013832-A1 | PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF | Merck Patent GmbH (DE) | 2016-05-04 | — | — | EP | disclosed |
| WO-2014209980-A1 | PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF | MERCK PATENT GMBH (DE) | 2014-12-31 | — | — | WO | disclosed |