Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 1/20 | 0.47 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.36 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6544398 | 0.87 | NPC1 (0.51) | XIAPBIRC2HDAC1HDAC8HDAC6 | |
| Hydrochloric Acid SCHEMBL7565105 | 0.86 | NPC1 (0.50) | XIAPBIRC2HDAC1HDAC8HDAC6 | |
| SCHEMBL7542146 | 0.81 | NPC1 (0.43) | XIAPBIRC2HDAC1HDAC8HDAC6 | |
| SCHEMBL6887035 | 0.81 | NPC1 (0.47) | XIAPBIRC2HDAC1HDAC8HDAC6 | |
| SCHEMBL15771793 | 0.76 | NPC1 (0.39) | XIAPBIRC2HDAC1HDAC8HDAC6 | |
| SCHEMBL15772117 | 0.76 | NPC1 (0.39) | XIAPBIRC2HDAC1HDAC8HDAC6 | |
| SCHEMBL14295982 | 0.75 | HDAC1 (0.54) | XIAPBIRC2HDAC1HDAC8HDAC6 | |
| SCHEMBL6879988 | 0.74 | XIAP (0.42) | XIAPBIRC2HDAC1HDAC8HDAC6 | |
| SCHEMBL6543487 | 0.74 | NOTUM (0.55) | HDAC1HDAC6GAASMN1; SMN2P2RY1 | |
| SCHEMBL1670307 | 0.73 | NPC1 (0.54) | XIAPBIRC2HDAC1HDAC8HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1377293-A1 | ARYL AND BIARYL PIPERIDINES USED AS MCH ANTAGONISTS | PHARMACOPEIA, INC. (US) | 2004-01-07 | — | — | EP | disclosed |
| WO-2002083134-A1 | ARYL AND BIARYL PIPERIDINES USED AS MCH ANTAGONISTS | PHARMACOPEIA, INC. (US) | 2002-10-24 | — | — | WO | disclosed |