Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6614019 | 0.82 | S1PR4 (0.41) | ALDH1A1CYP2A6F2NPC1RAB9A | |
| SCHEMBL8046771 | 0.74 | ALDH5A1 (0.36) | ALDH1A1CYP2A6 | |
| SCHEMBL8046766 | 0.74 | ALDH5A1 (0.36) | ALDH1A1CYP2A6 | |
| SCHEMBL16897589 | 0.74 | ALDH1A1 (0.45) | ALDH1A1SLC6A2SLC6A4SLC6A3CYP2A6 | |
| SCHEMBL17967266 | 0.72 | EPHX2 (0.44) | NPC1RAB9A | |
| SCHEMBL13780547 | 0.72 | ALDH1A1 (0.46) | ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL18723418 | 0.70 | POLB (0.43) | ALDH1A1SLC6A2SLC6A4SLC6A3NPC1 | |
| SCHEMBL581679 | 0.69 | SLC6A4 (0.47) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL581617 | 0.69 | SLC6A3 (0.47) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31611857 | 0.69 | SLC6A4 (0.49) | SLC6A2SLC6A4SLC6A3 |
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-2016124938-A1 | AUTOTAXIN INHIBITORS | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2016-08-11 | — | — | WO | disclosed |