Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 8/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL146509 | 0.97 | ESR1 (0.55) | ESR1PDCD1ESR2CD274ACHE | |
| Ammonia Solution, Strong SCHEMBL10808062 | 0.89 | LMNA (0.48) | ESR1PDCD1ESR2CD274ACHE | |
| SCHEMBL6548061 | 0.88 | ESR1 (0.48) | ESR1PDCD1ESR2CD274ACHE | |
| SCHEMBL2846227 | 0.86 | LMNA (0.50) | ESR1PDCD1ESR2CD274ACHE | |
| Ammonia Solution, Strong SCHEMBL6000291 | 0.85 | CYP19A1 (0.42) | ESR1PDCD1ESR2CD274ACHE | |
| SCHEMBL822908 | 0.84 | ESR1 (0.80) | ESR1PDCD1ESR2CD274ACHE | |
| SCHEMBL14160194 | 0.84 | ESR1 (0.44) | ESR1PDCD1ESR2CD274ACHE | |
| SCHEMBL2680435 | 0.84 | ACHE (0.65) | ESR1PDCD1ESR2CD274ACHE | |
| SCHEMBL22593785 | 0.84 | ACHE (0.65) | ESR1PDCD1ESR2CD274ACHE | |
| SCHEMBL20132340 | 0.84 | ACHE (0.65) | ESR1PDCD1ESR2CD274ACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-6277851-B1 | ORALLY ADMINISTERED TRYPSIN-RELATED SERINE PROTEASE INHIBITORS; ANTICOAGULANTS | ADIR ET COMPAGNIE (FR) | 2001-08-21 | — | — | US | disclosed |