Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | ACHE | P22303 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 6/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | CASP1 | P29466 | 3/20 | 0.42 |
| ▸ | CASP7 | P55210 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5251516 | 0.92 | ACHE (0.39) | CYP1A2ACHETSHRCYP3A4PIK3CA | |
| SCHEMBL3073449 | 0.88 | CYP1A2 (0.41) | CYP1A2ACHETSHRCYP3A4PIK3CA | |
| SCHEMBL18923214 | 0.88 | CYP1A2 (0.41) | CYP1A2ACHETSHRCYP3A4PIK3CA | |
| SCHEMBL3679087 | 0.86 | ACHE (0.39) | CYP1A2ACHETSHRCYP3A4PIK3CA | |
| SCHEMBL31180772 | 0.86 | ACHE (0.39) | CYP1A2ACHETSHRCYP3A4PIK3CA | |
| Hydrochloric Acid SCHEMBL4638285 | 0.86 | RAB9A (0.41) | CYP1A2ACHETSHRCYP3A4PIK3CA | |
| SCHEMBL5749741 | 0.85 | ACHE (0.48) | CYP1A2ACHETSHRCYP3A4PIK3CA | |
| SCHEMBL30148931 | 0.81 | CYP1A2 (0.45) | CYP1A2ACHETSHRCYP3A4PIK3CA | |
| SCHEMBL538480 | 0.81 | CYP1A2 (0.45) | CYP1A2ACHETSHRCYP3A4PIK3CA | |
| SCHEMBL1834490 | 0.80 | TSHR (0.41) | CYP1A2ACHETSHRCYP3A4PIK3CA |
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-4792508-A | STEREOISOMERIC NAPHTHALENE IMIDAZOLE PERYLENES, ARYL AMINES | XEROX CORPORATION (US) | 1988-12-20 | — | — | US | disclosed |