Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 9/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 9/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 6/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29955837 | 0.84 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2CYP2A6HSD17B10TDP1 | |
| SCHEMBL2979640 | 0.84 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2CYP2A6HSD17B10TDP1 | |
| SCHEMBL4013957 | 0.72 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2CYP2A6HSD17B10TDP1 | |
| SCHEMBL3586405 | 0.69 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2CYP2A6HSD17B10TDP1 | |
| SCHEMBL48607 | 0.68 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2CYP2A6HSD17B10TDP1 | |
| SCHEMBL29389102 | 0.68 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2CYP2A6HSD17B10TDP1 | |
| SCHEMBL24666020 | 0.68 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2CYP2A6HSD17B10TDP1 | |
| SCHEMBL29820680 | 0.68 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2CYP2A6HSD17B10TDP1 | |
| SCHEMBL23161513 | 0.67 | CHRNB2 (0.58) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL6856211 | 0.66 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2CYP2A6HSD17B10TDP1 |
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-2023067353-A1 | HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER | ARTIOS PHARMA LIMITED (GB) | 2023-04-27 | — | — | WO | disclosed |