Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | ATM | Q13315 | 2/20 | 0.63 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31448683 | 0.86 | CYP2A13 (0.69) | ALDH1A1ATMCYP2A13SIGMAR1KMT2A | |
| SCHEMBL16226380 | 0.83 | ALDH1A1 (0.81) | ALDH1A1ATMCYP2A13MAPTKMT2A | |
| SCHEMBL2858039 | 0.83 | ALDH1A1 (0.64) | ALDH1A1ATMCYP2A13SIGMAR1KMT2A | |
| SCHEMBL12013928 | 0.83 | ACHE (0.68) | ALDH1A1ATMCYP2A13SIGMAR1KMT2A | |
| SCHEMBL30377416 | 0.81 | ALDH1A1 (0.62) | ALDH1A1ATMCYP2A13SIGMAR1KMT2A | |
| SCHEMBL27883990 | 0.81 | MPO (0.72) | ALDH1A1MAPTSIGMAR1KDM4E | |
| SCHEMBL29767452 | 0.80 | CXCR4 (0.69) | ALDH1A1ATMCYP2A13SIGMAR1KMT2A | |
| SCHEMBL16888834 | 0.80 | ATM (0.68) | ALDH1A1ATMCYP2A13SIGMAR1KMT2A | |
| SCHEMBL3262128 | 0.80 | ALDH1A1 (0.96) | ALDH1A1ATMCYP2A13MAPTKMT2A | |
| SCHEMBL8552266 | 0.79 | ALDH1A1 (0.63) | ALDH1A1ATMCYP2A13MAPTSIGMAR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1084329-C | Benzyl piepridine derivs as pharmaceutical agents | HOFFMANN LA ROCHE (CH) | 2002-05-08 | — | — | CN | disclosed |
| EP-0871613-A1 | BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1998-10-21 | — | — | EP | disclosed |
| CN-1183768-A | Benzyl piepridine derivs as pharmaceutical agents | HOFFMANN LA ROCHE (CH) | 1998-06-03 | — | — | CN | disclosed |
| US-5753679-A | SCIZOPHRENIA | HOFFMANN-LA ROCHE INC. (US) | 1998-05-19 | — | — | US | disclosed |
| WO-1996035666-A1 | BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 1996-11-14 | — | — | WO | disclosed |