Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CCR5 | P51681 | 1/20 | 0.44 |
| ▸ | FPR2 | P25090 | 4/20 | 0.42 |
| ▸ | FPR3 | P25089 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27981483 | 0.88 | ALDH1A1 (0.52) | ALDH1A1MAPTNPC1MAPK1HTT | |
| SCHEMBL27826414 | 0.86 | ALDH1A1 (0.49) | ALDH1A1MAPTNPC1MAPK1HTT | |
| SCHEMBL27613627 | 0.86 | ALDH1A1 (0.48) | ALDH1A1MAPTNPC1MAPK1HTT | |
| SCHEMBL27552067 | 0.84 | ALDH1A1 (0.46) | ALDH1A1MAPTNPC1MAPK1HTT | |
| SCHEMBL27746449 | 0.81 | KMT2A (0.40) | ALDH1A1MAPTNPC1MAPK1HTT | |
| SCHEMBL27976449 | 0.81 | FPR2 (0.43) | ALDH1A1NPC1RAB9AFPR2FPR3 | |
| SCHEMBL2873727 | 0.80 | ALDH1A1 (0.75) | ALDH1A1MAPTNPC1MAPK1HTT | |
| SCHEMBL27756075 | 0.79 | CDK12 (0.43) | — | |
| SCHEMBL27629058 | 0.79 | NAMPT (0.41) | ALDH1A1MAPTHTTL3MBTL1FPR2 | |
| SCHEMBL15544585 | 0.78 | POLB (0.46) | ALDH1A1MAPTNPC1MAPK1HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101415674-A | Pyrrolidine derivatives as ERK inhibitors | SCHERING CORP (US) | 2009-04-22 | — | — | CN | disclosed |
| CN-100469767-C | Bipiperidine derivatives and their use as chemokine receptor inhibitors | NOVARTIS AG (CH) | 2009-03-18 | — | — | CN | disclosed |
| CN-1501915-A | Bipiperidine derivatives and their use as chemokine receptor inhibitors | ��˹��ŵ�� | 2004-06-02 | — | — | CN | disclosed |