Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 3/20 | 0.53 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.40 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.40 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1722891 | 0.96 | KMO (0.57) | KMOMRGPRX4IP6K1IP6K3IP6K2 | |
| SCHEMBL1725164 | 0.86 | KMO (0.44) | KMOIP6K1IP6K3IP6K2ALDH1A1 | |
| SCHEMBL1723942 | 0.85 | PARP1 (0.48) | KMOALDH1A1PARP1BRAFPIK3CA | |
| SCHEMBL1722768 | 0.81 | KMO (0.41) | KMOALDH1A1SMN1; SMN2XDHPARP1 | |
| SCHEMBL13187651 | 0.78 | MPL (0.47) | KMOBRAF | |
| SCHEMBL1725126 | 0.77 | KMO (0.53) | KMOMRGPRX4IP6K1IP6K3IP6K2 | |
| SCHEMBL1725601 | 0.77 | THRB (0.44) | KMOALDH1A1SMN1; SMN2XDHPIN1 | |
| SCHEMBL1724006 | 0.77 | CCNA2 (0.43) | KMOALDH1A1SMN1; SMN2BRAFKDM4E | |
| SCHEMBL1722586 | 0.76 | ALOX15 (0.56) | KMOSMN1; SMN2BRAFPIK3CAPIK3CD | |
| SCHEMBL1726345 | 0.74 | CTSS (0.55) | KMOALDH1A1PARP1KDM4EADORA2A |
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-2403833-A1 | 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS | Sirtris Pharmaceuticals, Inc. (US) | 2012-01-11 | — | — | EP | disclosed |
| WO-2010101949-A1 | 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2010-09-10 | — | — | WO | disclosed |