Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.62 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.58 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29669989 | 1.00 | CYP19A1 (0.62) | CYP19A1HMOX1CYP51A1ADRA2CIDO1 | |
| SCHEMBL28557782 | 0.87 | CYP19A1 (0.58) | CYP19A1HMOX1CYP51A1ADRA2CIDO1 | |
| SCHEMBL6299999 | 0.83 | CYP19A1 (0.72) | CYP19A1HMOX1CYP51A1 | |
| SCHEMBL7562437 | 0.83 | CYP19A1 (0.72) | CYP19A1HMOX1CYP51A1 | |
| SCHEMBL28811701 | 0.82 | IDO1 (0.47) | CYP19A1HMOX1ADRA2CIDO1 | |
| SCHEMBL11266884 | 0.80 | CYP19A1 (0.72) | CYP19A1HMOX1CYP51A1ADRA2C | |
| SCHEMBL28811703 | 0.80 | IDO1 (0.49) | CYP19A1HMOX1ADRA2CIDO1 | |
| SCHEMBL11270380 | 0.79 | CYP19A1 (0.62) | CYP19A1HMOX1CYP51A1ADRA2C | |
| SCHEMBL11196894 | 0.79 | ADRA2C (0.64) | CYP19A1HMOX1CYP51A1ADRA2C | |
| Hydrochloric Acid SCHEMBL9996130 | 0.79 | CYP19A1 (0.70) | CYP19A1HMOX1CYP51A1ADRA2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109320458-B | Diaryl imidazole-containing compound, preparation method and medical application thereof | 中国药科大学 | 2022-05-31 | — | — | CN | disclosed |
| CN-112694472-A | BuChE-IDO1 inhibitor, preparation method and application thereof | 西南大学 | 2021-04-23 | — | — | CN | disclosed |