Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9014674 | 0.88 | CYP1A2 (0.30) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11331559 | 0.79 | ALDH1A1 (0.36) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11216850 | 0.79 | PLA2G2A (0.31) | — | |
| SCHEMBL7353255 | 0.78 | ELANE (0.35) | — | |
| SCHEMBL4922300 | 0.73 | DGAT1 (0.34) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL14494753 | 0.71 | ALDH1A1 (0.36) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL27338272 | 0.70 | CYP1A2 (0.32) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL12730747 | 0.69 | TSHR (0.36) | — | |
| SCHEMBL9146465 | 0.69 | ALDH1A1 (0.57) | — | |
| SCHEMBL11749631 | 0.69 | HCAR2 (0.38) | CYP1A2CYP2D6CYP2C19 |
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-5495022-A | Piperidines and piperazines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-02-27 | — | — | US | disclosed |