Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MGAM | O43451 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | SI | P14410 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.30 |
| ▸ | PNMT | P11086 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | SLC22A1 | O15245 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6077294 | 0.87 | F2 (0.35) | CYP2A6DPP4 | |
| SCHEMBL6079053 | 0.76 | NOTUM (0.41) | CYP2A6CYP3A4CYP1A2HSP90AA1NOTUM | |
| SCHEMBL6077418 | 0.73 | CYP2A6 (0.38) | CYP2A6LOXL2DPP4CYP3A4DPP8 | |
| SCHEMBL6079066 | 0.72 | CYP2A6 (0.41) | CYP2A6LOXL2DPP4CYP3A4CYP1A2 | |
| SCHEMBL6819312 | 0.72 | PIEZO1 (0.44) | LOXL2CYP2D6KDM4EALDH1A1RAB9A | |
| SCHEMBL20530665 | 0.66 | RECQL (0.46) | CYP2A6LOXL2DPP4DPP8MEN1 | |
| SCHEMBL6920562 | 0.66 | NOTUM (0.49) | CYP3A4CYP2D6NOTUMKDM4EGAA | |
| SCHEMBL701343 | 0.65 | CYP2A6 (0.48) | CYP2A6LOXL2CYP3A4CYP1A2HSP90AA1 | |
| SCHEMBL27823079 | 0.65 | AAK1 (0.35) | CYP2A6LOXL2DPP4CYP3A4CYP1A2 | |
| SCHEMBL42557 | 0.63 | PNMT (0.52) | CYP2A6DPP4CYP3A4CYP1A2HSP90AA1 |
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-2004032834-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2004-04-22 | — | — | WO | disclosed |