Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18021138 | 0.88 | ESR1 (0.51) | ESR1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL25260946 | 0.84 | TSHR (0.47) | TSHRL3MBTL1MAPK1ALDH1A1HSD17B10 | |
| SCHEMBL30622008 | 0.81 | ATM (0.56) | ESR1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL4627003 | 0.80 | ESR1 (0.63) | ESR1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL11740048 | 0.80 | ESR1 (0.63) | ESR1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL1893480 | 0.80 | TSHR (0.57) | ESR1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL29529080 | 0.79 | ESR1 (0.54) | ESR1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL19684971 | 0.79 | TSHR (0.58) | ESR1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL13541203 | 0.78 | ESR1 (0.68) | ESR1TSHRCYP3A4MAPK1ALDH1A1 | |
| SCHEMBL19600839 | 0.77 | ESR1 (0.55) | ESR1TSHRTDP1L3MBTL1CYP3A4 |
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-2016130818-A1 | SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2016-08-18 | — | — | WO | disclosed |