Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.51 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.47 |
| ▸ | IKBKB | O14920 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3786301 | 0.82 | ALDH1A1 (0.58) | MAP4K4IKBKBMAOAMCL1CA12 | |
| SCHEMBL3790386 | 0.81 | MAP4K4 (0.50) | MAP4K4IKBKBMAOAHSD17B1HSD17B2 | |
| SCHEMBL28447477 | 0.81 | MAP4K4 (0.50) | MAP4K4IKBKBMAOAHSD17B1HSD17B2 | |
| SCHEMBL3786949 | 0.81 | MAP4K4 (0.50) | MAP4K4MAOACA12CA1CA2 | |
| SCHEMBL1028775 | 0.78 | ALDH1A1 (0.62) | HSD17B14HSD17B1HSD17B2ALDH1A1CDK4 | |
| SCHEMBL8264202 | 0.78 | HSD17B14 (0.51) | HSD17B14CA12CA9CNR1CNR2 | |
| SCHEMBL16429067 | 0.76 | KDM1A (0.51) | MAP4K4IKBKBMAOAHSD17B1HSD17B2 | |
| SCHEMBL3790537 | 0.76 | MAOA (0.52) | MAP4K4IKBKBMAOAHSD17B1HSD17B2 | |
| SCHEMBL17175631 | 0.76 | HSD17B14 (0.65) | HSD17B14HSD17B1HSD17B2 | |
| SCHEMBL28475655 | 0.76 | MAOA (0.47) | MAP4K4MAOAHSD17B1HSD17B2CA12 |
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-2006069788-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2006-07-06 | — | — | WO | disclosed |