Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 2/20 | 0.56 |
| ▸ | ESR1 | P03372 | 9/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.52 |
| ▸ | THRA | P10827 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 2/20 | 0.48 |
| ▸ | EBP | Q15125 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7363615 | 0.85 | MCHR1 (0.51) | MCHR1ESR1ESR2THRATHRB | |
| SCHEMBL25887676 | 0.82 | THRA (0.57) | THRATHRB | |
| SCHEMBL12352210 | 0.79 | PGR (0.50) | — | |
| SCHEMBL7329576 | 0.78 | STS (0.60) | ESR1ESR2 | |
| SCHEMBL7336224 | 0.77 | THRA (0.58) | THRATHRB | |
| SCHEMBL9505618 | 0.76 | THRB (0.60) | THRATHRBSIGMAR1 | |
| SCHEMBL13683755 | 0.75 | MCHR1 (0.74) | MCHR1ESR1EBPSIGMAR1 | |
| SCHEMBL1283830 | 0.75 | THRA (0.71) | ESR1ESR2THRATHRB | |
| SCHEMBL13683745 | 0.74 | MCHR1 (0.93) | MCHR1ESR1EBPSIGMAR1 | |
| SCHEMBL6783648 | 0.74 | POLB (0.64) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0434365-A2 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1991-06-26 | — | — | EP | claimed |