Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 3/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 4/20 | 0.53 |
| ▸ | BACE1 | P56817 | 2/20 | 0.53 |
| ▸ | CCR3 | P51677 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.48 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL15387058 | 0.90 | ACHE (0.61) | ACHEDRD2DRD4DRD3BCHE | |
| SCHEMBL3271398 | 0.83 | LTA4H (0.60) | CYP1A2CYP3A4CYP2D6CYP2C19ACHE | |
| SCHEMBL4512639 | 0.83 | LTA4H (0.60) | CYP1A2CYP3A4CYP2D6CYP2C19ACHE | |
| SCHEMBL24652674 | 0.82 | NPC1 (0.58) | CYP1A2CYP3A4CYP2D6CYP2C19ACHE | |
| SCHEMBL10607825 | 0.82 | HRH3 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C19ACHE | |
| Hydrochloric Acid SCHEMBL18038825 | 0.82 | LTA4H (0.58) | CYP1A2CYP3A4CYP2D6CYP2C19ACHE | |
| SCHEMBL2614397 | 0.81 | ACHE (0.54) | CYP1A2CYP3A4CYP2D6CYP2C19ACHE | |
| SCHEMBL7276334 | 0.81 | ACHE (0.54) | CYP1A2CYP3A4CYP2D6CYP2C19ACHE | |
| SCHEMBL3941806 | 0.80 | ACHE (0.53) | CYP1A2CYP3A4CYP2D6CYP2C19ACHE | |
| SCHEMBL250507 | 0.80 | BCHE (0.61) | BCHEALDH1A1SIGMAR1MAOB |
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-7378415-B2 | Benzoxazine and quinoxaline derivatives and uses thereof | ROCHE PALO ALTO LLC (US) | 2008-05-27 | — | — | US | disclosed |