Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 8/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | ATM | Q13315 | 1/20 | 0.63 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.62 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL9906603 | 0.91 | CXCR4 (0.67) | CXCR4ALDH1A1ATMSIGMAR1CYP2A13 | |
| SCHEMBL11360607 | 0.83 | SIGMAR1 (0.85) | CXCR4ALDH1A1ATMSIGMAR1CYP2A13 | |
| SCHEMBL6945977 | 0.83 | CXCR4 (0.73) | CXCR4ALDH1A1ATMSIGMAR1CYP2A13 | |
| SCHEMBL12013926 | 0.83 | CXCR4 (0.69) | CXCR4ALDH1A1ATMSIGMAR1CYP2A13 | |
| SCHEMBL3110747 | 0.82 | KDM4E (0.63) | CXCR4ALDH1A1ATMSIGMAR1CYP2A13 | |
| SCHEMBL2074596 | 0.82 | POLB (0.65) | CXCR4ALDH1A1ATMSIGMAR1CYP2A13 | |
| SCHEMBL29767427 | 0.81 | CXCR4 (1.00) | CXCR4ALDH1A1ATMSIGMAR1CYP2A13 | |
| Hydrochloric Acid SCHEMBL11533303 | 0.81 | CXCR4 (0.71) | CXCR4ALDH1A1ATMSIGMAR1CYP2A13 | |
| SCHEMBL30443238 | 0.81 | CXCR4 (0.77) | CXCR4ALDH1A1ATMSIGMAR1CYP2A13 | |
| SCHEMBL28910476 | 0.81 | CXCR4 (0.61) | CXCR4ALDH1A1ATMSIGMAR1CYP2A13 |
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 |