Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.32 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | SCN1A | P35498 | 1/20 | 0.31 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.31 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9425412 | 0.90 | ALOX5 (0.31) | SIGMAR1CXCR1CXCR2HPGDALOX5 | |
| Hydrochloric Acid SCHEMBL6021665 | 0.88 | CYP3A4 (0.32) | CXCR1CXCR2ALOX5 | |
| SCHEMBL8946017 | 0.84 | ALOX5 (0.33) | HPGDALOX5 | |
| SCHEMBL8761014 | 0.77 | MAPK8 (0.36) | HPGDALOX5 | |
| SCHEMBL9583510 | 0.76 | SIGMAR1 (0.42) | SIGMAR1SCN1ASCN2ASCN3ASLC6A4 | |
| SCHEMBL9425163 | 0.76 | ALOX5 (0.35) | ALOX5 | |
| SCHEMBL9425081 | 0.76 | PGR (0.40) | CXCR1CXCR2PGRSCN1ASCN2A | |
| Hydrochloric Acid SCHEMBL8761008 | 0.76 | MAPK8 (0.36) | HPGDALOX5 | |
| Hydrochloric Acid SCHEMBL9583850 | 0.75 | SIGMAR1 (0.41) | SIGMAR1MAPT | |
| Hydrochloric Acid SCHEMBL8945783 | 0.75 | CYP3A4 (0.36) | ALOX5 |
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-5292760-A | 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-03-08 | — | — | US | claimed |