Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | TDO2 | P48775 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7893366 | 0.97 | ESR1 (0.52) | ESR1PDCD1ESR2CD274DAO | |
| SCHEMBL18293317 | 0.89 | CYP17A1 (0.47) | ESR1PDCD1ESR2CD274DAO | |
| SCHEMBL2680435 | 0.87 | ACHE (0.65) | ESR1PDCD1ESR2CD274DAO | |
| SCHEMBL17071841 | 0.87 | NPC1 (0.47) | ESR1PDCD1ESR2CD274DAO | |
| SCHEMBL12846949 | 0.87 | NPC1 (0.47) | ESR1PDCD1ESR2CD274DAO | |
| SCHEMBL17069342 | 0.87 | NPC1 (0.47) | ESR1PDCD1ESR2CD274DAO | |
| Ammonia Solution, Strong SCHEMBL6000172 | 0.86 | MAPKAPK2 (0.44) | ESR1PDCD1ESR2CD274DAO | |
| SCHEMBL25482216 | 0.85 | DAO (0.46) | ESR1PDCD1ESR2CD274DAO | |
| SCHEMBL6519836 | 0.85 | ESR1 (0.76) | ESR1PDCD1ESR2CD274DAO | |
| SCHEMBL6935122 | 0.85 | ADRB2 (0.50) | ESR1PDCD1ESR2CD274DAO |
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 |