Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL2570656 | 1.00 | — | — | |
| Acetonitrile SCHEMBL6268733 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CYP3A4TSHR | |
| Acetonitrile SCHEMBL8413087 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CYP3A4TSHR | |
| Acetonitrile SCHEMBL156477 | 1.00 | — | — | |
| Acetonitrile SCHEMBL7647027 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CYP3A4TSHR | |
| Acetonitrile SCHEMBL6822200 | 1.00 | — | — | |
| Acetonitrile SCHEMBL7460309 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CYP3A4TSHR | |
| Acetonitrile SCHEMBL6263408 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CYP3A4TSHR | |
| Acetonitrile SCHEMBL21768801 | 1.00 | — | — | |
| Acetonitrile SCHEMBL8505586 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CYP3A4TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6313305-B1 | ANTIBIOTICS, BACTERICIDES | HOECHST MARION ROUSSEL (FR) | 2001-11-06 | — | — | US | disclosed |
| US-5883248-A | QUATERNARY AMMONIUM INTERMEDIATES | ROUSSEL UCLAF (FR) | 1999-03-16 | — | — | US | disclosed |
| US-5763617-A | Cephalosporins | ROUSSEL UCLAF (FR) | 1998-06-09 | — | — | US | disclosed |
| US-5728828-A | A 3-(3-CHLORO- OR IODOPROP-1-EN-1-YL),7-(2-AMINOTHIAZOL-4-YL) ((CARBOXY)(PHENYL)METHOXYIMINO)ACETAMIDO-3-CEPHEM; GRAMNEGATIVE AND -POSITIVE BACTERIA, ESP. ANTIBIOTIC-RESISTANCE STAPHYLOCOCCUS | ROUSSEL UCLAF (FR) | 1998-03-17 | — | — | US | disclosed |
| US-5712266-A | Cephalosporins | ROUSSEL UCLAF (FR) | 1998-01-27 | — | — | US | disclosed |
| US-5587372-A | BACERICIDES | ROUSSEL UCLAF (FR) | 1996-12-24 | — | — | US | disclosed |