Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 6/20 | 0.65 |
| ▸ | HSD17B2 | P37059 | 6/20 | 0.65 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.43 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8265220 | 0.85 | HSD17B1 (0.65) | HSD17B1HSD17B2APPESR2RPS6KA3 | |
| SCHEMBL12225756 | 0.82 | ACHE (0.48) | HSD17B1HSD17B2RPS6KA3ACHEPTPN5 | |
| SCHEMBL21363207 | 0.82 | APP (0.71) | HSD17B1HSD17B2APPESR2ALOX5 | |
| SCHEMBL15344106 | 0.80 | ACHE (0.46) | HSD17B1HSD17B2ESR2ACHEPTPN5 | |
| SCHEMBL3625237 | 0.79 | HSD17B1 (0.74) | HSD17B1HSD17B2APPESR2ALOX5 | |
| SCHEMBL6250509 | 0.79 | RPS6KA3 (0.47) | HSD17B1HSD17B2APPRPS6KA3ACHE | |
| Metacresol SCHEMBL10549611 | 0.77 | ACHE (0.65) | HSD17B1HSD17B2ACHECA3CA6 | |
| SCHEMBL14381080 | 0.77 | AKR1C2 (0.47) | ESR2ACHE | |
| SCHEMBL5845469 | 0.77 | HSD17B10 (0.65) | HSD17B1HSD17B2APPACHEHDAC8 | |
| SCHEMBL12127 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2177518-A1 | Organic compounds | Novartis AG (CH) | 2010-04-21 | — | — | EP | disclosed |
| EP-1833816-B1 | SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS | NOVARTIS AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| WO-2006069788-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2006-07-06 | — | — | WO | disclosed |