Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL510533 | 0.87 | ALDH1A1 (0.32) | ALDH1A1CYP2A6 | |
| SCHEMBL3337149 | 0.84 | ALDH1A1 (0.33) | ALDH1A1CYP2A6ACHE | |
| SCHEMBL457229 | 0.80 | — | — | |
| SCHEMBL11503690 | 0.80 | ACHE (0.35) | ACHE | |
| SCHEMBL2093167 | 0.74 | TSHR (0.41) | ALDH1A1CYP2A6TSHR | |
| SCHEMBL9176392 | 0.74 | TSHR (0.39) | ALDH1A1TSHR | |
| SCHEMBL9179301 | 0.72 | MEN1 (0.32) | — | |
| SCHEMBL350245 | 0.70 | — | — | |
| Acetonitrile SCHEMBL25293727 | 0.68 | ALDH1A1 (0.50) | ALDH1A1CYP2A6TSHRTHRBACHE | |
| SCHEMBL3712582 | 0.67 | TSHR (0.32) | TSHR |
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-5420254-A | Monoazo dyes for textiles such as cellulose or polyesters | SANDOZ LTD. (CH) | 1995-05-30 | — | — | US | claimed |
| CN-101273095-A | Disperse azo dyes and mixtures comprising these disperse azo dyes | CLARIANT INT LTD (VG) | 2008-09-24 | — | — | CN | disclosed |
| EP-0261837-B1 | Process for the preparation of electrically conductive material | SANYO ELECTRIC CO (JP) | 2001-07-11 | — | — | EP | disclosed |
| US-5420254-A | Monoazo dyes for textiles such as cellulose or polyesters | SANDOZ LTD. (CH) | 1995-05-30 | — | — | US | disclosed |
| US-4795687-A | POLYTHIENYLENE, POLYPRYRROLE OR POLYANILINE MATERIAL PREPARED BY OXIDATION POLYMERIZATION | MITSUBISHI KASEI CORP. (JP) | 1989-01-03 | — | — | US | disclosed |
| EP-0261837-A2 | Electrically conductive material and a process for the preparation of same and secondary battery using the electrically conductive material | Sanyo Electric Co., Ltd (JP) | 1988-03-30 | — | — | EP | disclosed |