Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | PSMB1 | P20618 | 8/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 7/20 | 0.36 |
| ▸ | PSMB2 | P49721 | 4/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | PDE1A | P54750 | 4/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 4/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7603606 | 0.89 | ESR1 (0.55) | ESR1ESR2PSMB1PSMB5PSMB2 | |
| SCHEMBL7603643 | 0.89 | ESR1 (0.55) | ESR1ESR2PSMB1PSMB5PSMB2 | |
| SCHEMBL7597044 | 0.88 | ESR1 (0.56) | ESR1ESR2PSMB1PSMB5PSMB2 | |
| SCHEMBL7597037 | 0.88 | ESR1 (0.56) | ESR1ESR2PSMB1PSMB5PSMB2 | |
| SCHEMBL7704151 | 0.86 | ESR1 (0.42) | ESR1ESR2PSMB1PSMB5PSMB2 | |
| SCHEMBL7602287 | 0.84 | ESR1 (0.46) | ESR1ESR2PSMB1PSMB5OPRD1 | |
| SCHEMBL7602301 | 0.84 | ESR1 (0.46) | ESR1ESR2PSMB1PSMB5OPRD1 | |
| SCHEMBL7597060 | 0.83 | ESR1 (0.47) | ESR1ESR2PSMB1PSMB5OPRD1 | |
| SCHEMBL7597047 | 0.83 | ESR1 (0.47) | ESR1ESR2PSMB1PSMB5OPRD1 | |
| SCHEMBL1962745 | 0.70 | ESR1 (0.59) | ESR1ESR2PSMB1PSMB5OPRD1 |
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-2002066415-A2 | NON-STEROIDAL MODULATORS OF ESTROGEN RECEPTORS | THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) | 2002-08-29 | — | — | WO | claimed |