Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.68 |
| ▸ | NPC1 | O15118 | 6/20 | 0.68 |
| ▸ | MEN1 | O00255 | 2/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.66 |
| ▸ | PARP1 | P09874 | 1/20 | 0.66 |
| ▸ | CES2 | O00748 | 1/20 | 0.65 |
| ▸ | CES1 | P23141 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.64 |
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.62 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.60 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.60 |
| ▸ | RELA | Q04206 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL12871351 | 0.85 | NPC1 (0.90) | RAB9ANPC1MEN1KMT2APARP1 | |
| SCHEMBL1012519 | 0.84 | NPC1 (0.70) | RAB9ANPC1MEN1KMT2APARP1 | |
| SCHEMBL3850447 | 0.84 | NPC1 (0.70) | RAB9ANPC1MEN1KMT2APARP1 | |
| SCHEMBL30416225 | 0.84 | NPC1 (0.70) | RAB9ANPC1MEN1KMT2APARP1 | |
| SCHEMBL16461033 | 0.84 | RAB9A (0.70) | RAB9ANPC1MEN1KMT2APARP1 | |
| SCHEMBL4331173 | 0.82 | RAB9A (0.68) | RAB9ANPC1MEN1KMT2APARP1 | |
| SCHEMBL29598340 | 0.82 | NPC1 (0.68) | RAB9ANPC1MEN1KMT2APARP1 | |
| SCHEMBL31325157 | 0.82 | RAB9A (0.68) | RAB9ANPC1MEN1KMT2APARP1 | |
| SCHEMBL21779857 | 0.82 | RAB9A (0.68) | RAB9ANPC1MEN1KMT2APARP1 | |
| Hydrochloric Acid SCHEMBL30102161 | 0.82 | NPC1 (0.68) | RAB9ANPC1MEN1KMT2APARP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | claimed |
| WO-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |