Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | GCGR | P47871 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 3/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7451880 | 0.92 | HRH3 (0.51) | ESR1ESR2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7445232 | 0.92 | ESR1 (0.57) | ESR1ESR2ALDH1A1CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8589966 | 0.91 | ESR1 (0.58) | ESR1ESR2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7414836 | 0.91 | ESR1 (0.58) | ESR1ESR2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7445743 | 0.90 | ESR1 (0.59) | ESR1ESR2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7444427 | 0.85 | ESR1 (0.50) | ESR1ESR2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7442275 | 0.84 | ESR1 (0.47) | ESR1ESR2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7772092 | 0.80 | ESR1 (0.56) | ESR1ESR2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7450714 | 0.78 | GCGR (0.70) | ESR1ESR2GCGRLTA4H | |
| SCHEMBL7452427 | 0.77 | ESR1 (0.51) | ESR1ESR2ALDH1A1CYP1A2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1027051-A4 | ANTITHROMBOTIC AGENTS | LILLY CO ELI (US) | 2001-03-07 | — | — | EP | disclosed |
| EP-1027051-A1 | ANTITHROMBOTIC AGENTS | ELI LILLY AND COMPANY (US) | 2000-08-16 | — | — | EP | disclosed |
| WO-1998048804-A1 | ANTITHROMBOTIC AGENTS | ELI LILLY AND COMPANY (US) | 1998-11-05 | — | — | WO | disclosed |