Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | ANPEP | P15144 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | CASR | P41180 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21358725 | 0.84 | POLB (0.54) | ALDH1A1ANPEPSMN1; SMN2 | |
| SCHEMBL21358724 | 0.84 | POLB (0.54) | ALDH1A1ANPEPSMN1; SMN2 | |
| SCHEMBL24106001 | 0.82 | NPC1 (0.60) | ALDH1A1NPC1RAB9AANPEPCASR | |
| SCHEMBL21376398 | 0.82 | NPC1 (0.60) | ALDH1A1NPC1RAB9AANPEPCASR | |
| SCHEMBL21376446 | 0.80 | OPRM1 (0.52) | ALDH1A1EPHX2FOLH1GAA | |
| SCHEMBL21376629 | 0.78 | NPC1 (0.55) | ALDH1A1NPC1RAB9AANPEPCASR | |
| SCHEMBL21376456 | 0.77 | ACE (0.47) | ALDH1A1SMN1; SMN2FOLH1 | |
| SCHEMBL10263934 | 0.77 | NPC1 (0.83) | ALDH1A1NPC1RAB9AANPEPHTT | |
| SCHEMBL21376455 | 0.76 | PPID (0.47) | ALDH1A1ANPEPSMN1; SMN2 | |
| SCHEMBL21358742 | 0.76 | ITGB1 (0.53) | ALDH1A1NPC1RAB9AHTT |
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-2019178248-A1 | INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2019-09-19 | — | — | WO | disclosed |