Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.37 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12746168 | 0.79 | ESR1 (0.36) | ESR1ESR2 | |
| SCHEMBL8635521 | 0.78 | ESR1 (0.52) | ESR1ESR2 | |
| SCHEMBL5196415 | 0.77 | ESR1 (0.43) | ESR1ESR2HSD17B3HTT | |
| SCHEMBL19135540 | 0.75 | MCL1 (0.41) | TSHR | |
| SCHEMBL15450945 | 0.73 | CYP1A2 (0.51) | CYP3A4TSHRHTT | |
| SCHEMBL4923226 | 0.72 | TTR (0.34) | ESR1ESR2HSD17B3HTT | |
| SCHEMBL4911318 | 0.72 | ESR2 (0.39) | ESR1ESR2HTT | |
| SCHEMBL4924991 | 0.72 | ESR1 (0.33) | ESR1ESR2HSD17B3TSHRHTT | |
| SCHEMBL3874783 | 0.71 | HTT (0.44) | ESR1ESR2HTT | |
| SCHEMBL29980342 | 0.71 | HTT (0.44) | ESR1ESR2HTT |
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-2005032472-A2 | PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-04-14 | — | — | WO | disclosed |