Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 1/20 | 0.53 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.51 |
| ▸ | HRH2 | P25021 | 1/20 | 0.51 |
| ▸ | HRH1 | P35367 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.46 |
| ▸ | HTR3B | O95264 | 2/20 | 0.46 |
| ▸ | HTR3A | P46098 | 2/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | FDPS | P14324 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1310204 | 0.79 | GABRR1 (0.66) | GABRR1HRH4HRH3HRH2HRH1 | |
| Hydrochloric Acid SCHEMBL7275217 | 0.78 | TDP1 (0.61) | GABRR1HRH4HRH3HRH2HRH1 | |
| SCHEMBL7266119 | 0.77 | HRH4 (0.56) | GABRR1HRH4HRH3HRH2HRH1 | |
| SCHEMBL9623554 | 0.77 | TSHR (0.40) | TDP1KDM4ESMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL5157359 | 0.76 | GABRR1 (0.56) | GABRR1HRH4HRH3HRH2HRH1 | |
| Hydrochloric Acid SCHEMBL7274987 | 0.75 | TDP1 (0.57) | GABRR1HRH4HRH3HRH2HRH1 | |
| SCHEMBL31421461 | 0.75 | GABRR1 (0.54) | GABRR1HRH4HRH3HRH2HRH1 | |
| SCHEMBL9624460 | 0.75 | GABRR1 (0.54) | GABRR1HRH4HRH3HRH2HRH1 | |
| SCHEMBL4400656 | 0.73 | GABRR1 (0.53) | GABRR1HRH4HRH3HRH2HRH1 | |
| SCHEMBL7294806 | 0.73 | ALDH1A1 (0.54) | SMN1; SMN2ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997034896-A1 | NOVEL HETEROCYCLICALLY SUBSTITUTED IMIDAZOLOQUINOXALINONES, THEIR PREPARATION AND THEIR USE | BASF AKTIENGESELLSCHAFT (DE) | 1997-09-25 | — | — | WO | disclosed |