Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 2/20 | 0.61 |
| ▸ | KYNU | Q16719 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 10/20 | 0.48 |
| ▸ | CTSB | P07858 | 6/20 | 0.48 |
| ▸ | ITGAV | P06756 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 5/20 | 0.46 |
| ▸ | CTSS | P25774 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8296213 | 1.00 | CASP1 (0.61) | CASP1KYNUCTSLCTSBITGAV | |
| SCHEMBL15372554 | 0.82 | CASP1 (0.47) | CASP1KYNUCTSLCTSBALOX15 | |
| SCHEMBL6474852 | 0.80 | ITGB3 (0.55) | CASP1 | |
| SCHEMBL7331730 | 0.79 | CTSL (0.42) | CASP1KYNUCTSLCTSBALOX15 | |
| SCHEMBL29440261 | 0.78 | KYNU (0.51) | CASP1KYNUCTSLCTSBALOX15 | |
| SCHEMBL6506646 | 0.78 | CASP1 (0.59) | CASP1KYNUCTSLCTSBALOX15 | |
| SCHEMBL8297568 | 0.78 | NPC1 (0.50) | ITGAVALOX15RAB9ANPC1KDM4E | |
| SCHEMBL8142600 | 0.77 | CASP1 (0.56) | CASP1KYNUCTSLCTSBALOX15 | |
| SCHEMBL29062923 | 0.77 | ALDH1A1 (0.50) | CASP1KYNUCTSLCTSBALOX15 | |
| SCHEMBL29062922 | 0.77 | ALDH1A1 (0.50) | CASP1KYNUCTSLCTSBALOX15 |
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 1 patent. 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 | disclosed |