Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL2532490 | 0.79 | LMNA (0.41) | SIGMAR1 | |
| SCHEMBL1169909 | 0.76 | TDP1 (0.41) | — | |
| SCHEMBL28401654 | 0.74 | NR1H2 (0.44) | — | |
| SCHEMBL3362751 | 0.74 | TDP1 (0.40) | — | |
| SCHEMBL9104204 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL2832222 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL9746113 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL2425306 | 0.72 | MEN1 (0.44) | TAAR1 | |
| SCHEMBL4091793 | 0.72 | ALDH1A1 (0.47) | — | |
| SCHEMBL10666300 | 0.72 | MEN1 (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5869731-A | CATIONIC DYES HAVING SPECIFIED COMPUTED ELECTROSTATIC SHIELDING ENERGY | BAYER AKTIENGESELLSCHAFT (DE) | 1999-02-09 | — | — | US | disclosed |
| US-5725607-A | COMPUTED ELECTROSTATIC SHIELDING ENERGY | BAYER AKTIENGESELLSCHAFT (DE) | 1998-03-10 | — | — | US | disclosed |
| EP-0752494-A1 | Process for reducing the toxicity of residual dyeing-baths and new cationic dyes | BAYER AG (DE) | 1997-01-08 | — | — | EP | disclosed |