Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16570136 | 0.89 | CTSL (0.33) | — | |
| SCHEMBL9829845 | 0.81 | KDM1A (0.41) | CYP2D6CHRNB2CHRNA7CHRNA4MEN1 | |
| SCHEMBL1030220 | 0.79 | CHRNB2 (0.50) | CYP2D6KCNH2CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL1030421 | 0.79 | CHRNB2 (0.50) | CYP2D6KCNH2CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL1031980 | 0.79 | CHRNB2 (0.50) | CYP2D6KCNH2CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL6865588 | 0.78 | CYP2D6 (0.37) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL28677309 | 0.78 | SLC18A3 (0.42) | CYP2D6CHRNB2CHRNA7CHRNA4MEN1 | |
| SCHEMBL6860743 | 0.78 | CYP2D6 (0.37) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL188416 | 0.77 | MEN1 (0.51) | CYP2D6CHRNB2CHRNA7CHRNA4MEN1 | |
| SCHEMBL27564375 | 0.77 | MEN1 (0.51) | CYP2D6CHRNB2CHRNA7CHRNA4MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6333320-B1 | USEFUL AS DRUGS, ESPECIALLY AS AN ACTIVATED BLOOD COAGULATION FACTOR X INHIBITOR | Yamanouchi Pharmaceutical Co. (JP) | 2001-12-25 | — | — | US | disclosed |
| EP-1000936-A1 | NOVEL HEXAHYDRO-1,4-DIAZEPINE DERIVATIVES OR SALTS THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2000-05-17 | — | — | EP | disclosed |