Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.48 |
| ▸ | KMO | O15229 | 2/20 | 0.46 |
| ▸ | TOP2A | P11388 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.44 |
| ▸ | PLK4 | O00444 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | PRKCG | P05129 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | CSF1R | P07333 | 1/20 | 0.44 |
| ▸ | LYN | P07948 | 1/20 | 0.44 |
| ▸ | RET | P07949 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | KIT | P10721 | 1/20 | 0.44 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.44 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.44 |
| ▸ | FLT4 | P35916 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1725126 | 0.89 | KMO (0.53) | PARP1KMOTOP2AKDM4EMAPK14 | |
| SCHEMBL1727006 | 0.85 | MAPT (0.49) | PARP1KMOTOP2AKDM4EMAPK14 | |
| SCHEMBL1725871 | 0.82 | TOP2A (0.47) | PARP1KMOTOP2AKDM4EMAPK14 | |
| SCHEMBL1723942 | 0.81 | PARP1 (0.48) | PARP1KMOKDM4EADORA2AADORA1 | |
| SCHEMBL13187537 | 0.80 | KMT2A (0.47) | KMOTOP2AMAPK14PLK4ROCK2 | |
| SCHEMBL13187535 | 0.80 | MPL (0.47) | KMOTOP2AMAPK14PLK4ROCK2 | |
| SCHEMBL1725536 | 0.80 | KMT2A (0.50) | MAPK14PLK4ROCK2PRKCGLCK | |
| SCHEMBL13187288 | 0.80 | NPC1 (0.48) | TOP2AKDRSCN9AKMT2AALDH1A1 | |
| SCHEMBL13187538 | 0.80 | ALOX15 (0.57) | KMOTOP2AMAPK14PLK4ROCK2 | |
| SCHEMBL27864399 | 0.80 | KMO (0.47) | PARP1KMOTOP2AMAPK14PLK4 |
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 |