Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 3/20 | 0.47 |
| ▸ | CTSS | P25774 | 2/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1820487 | 0.81 | KDM1A (0.46) | KDM1ACTSSCNR2MEN1POLB | |
| SCHEMBL10200337 | 0.80 | ASIC3 (0.53) | KDM1ACTSSCNR2MEN1POLB | |
| SCHEMBL1822847 | 0.79 | KDM1A (0.43) | KDM1ACTSSCNR2MEN1POLB | |
| SCHEMBL1811577 | 0.78 | IDO1 (0.45) | KDM1ACTSSCNR2MEN1POLB | |
| SCHEMBL1191711 | 0.77 | EGFR (0.46) | EGFRPARP1 | |
| SCHEMBL1812256 | 0.77 | KDM1A (0.46) | KDM1ACTSSCNR2MEN1POLB | |
| SCHEMBL1819204 | 0.74 | KDM1A (0.45) | KDM1ACTSSCNR2MEN1POLB | |
| Trifluoroacetic Acid SCHEMBL2111882 | 0.74 | ASIC3 (0.46) | KDM1ACTSSCNR2MEN1POLB | |
| SCHEMBL1843078 | 0.73 | KDM1A (0.42) | KDM1ACTSSCNR2MEN1POLB | |
| SCHEMBL12415835 | 0.72 | GRM5 (0.45) | MEN1KMT2AKDM4EALDH1A1GRM5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2493888-A1 | BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS | Sirtris Pharmaceuticals, Inc. (US) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011059839-A1 | BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2011-05-19 | — | — | WO | disclosed |