Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.45 |
| ▸ | F10 | P00742 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2128436 | 0.90 | TSHR (0.54) | MAPTCXCR4KDM4EKCNA3ALDH1A1 | |
| SCHEMBL2128442 | 0.90 | TSHR (0.54) | MAPTCXCR4KDM4EKCNA3ALDH1A1 | |
| SCHEMBL14407776 | 0.83 | MPO (0.57) | MAPTCXCR4MPORAB9AKDM4E | |
| SCHEMBL16204433 | 0.81 | TSHR (0.66) | NPC1KDM4EALDH1A1TSHRROCK2 | |
| SCHEMBL27883990 | 0.81 | MPO (0.72) | MAPTACHEMPONPC1RAB9A | |
| SCHEMBL6270986 | 0.80 | ACHE (0.51) | MAPTACHENPC1RAB9AKDM4E | |
| SCHEMBL6336253 | 0.80 | ACHE (0.47) | MAPTACHENPC1RAB9AKDM4E | |
| SCHEMBL1641681 | 0.80 | ALDH1A1 (0.58) | ACHEMPORAB9AKDM4EALDH1A1 | |
| SCHEMBL8552266 | 0.79 | ALDH1A1 (0.63) | MAPTKDM4EALDH1A1LMNATSHR | |
| SCHEMBL8551446 | 0.79 | ALDH1A1 (0.64) | MAPTKDM4EALDH1A1LMNA |
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 |