Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | MET | P08581 | 5/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL20309134 | 0.96 | ALDH1A1 (0.44) | ALDH1A1NPC1RAB9APOLBPPARG | |
| SCHEMBL20032264 | 0.84 | ALDH1A1 (0.53) | ALDH1A1NPC1RAB9APOLBMET | |
| SCHEMBL18948483 | 0.82 | MET (0.45) | ALDH1A1NPC1RAB9APOLBPPARG | |
| SCHEMBL18948481 | 0.80 | ALDH1A1 (0.49) | ALDH1A1NPC1RAB9APOLBMET | |
| SCHEMBL26633974 | 0.79 | MET (0.41) | ALDH1A1NPC1RAB9APOLBPPARG | |
| SCHEMBL26633979 | 0.79 | MET (0.41) | ALDH1A1NPC1RAB9APOLBPPARG | |
| SCHEMBL29473917 | 0.78 | ALDH1A1 (0.53) | ALDH1A1NPC1RAB9APOLBMET | |
| SCHEMBL114725 | 0.78 | ALDH1A1 (0.53) | ALDH1A1NPC1RAB9APOLBMET | |
| SCHEMBL20309118 | 0.78 | ALDH1A1 (0.53) | ALDH1A1NPC1RAB9APOLBMET | |
| SCHEMBL19003721 | 0.77 | UGT2B7 (0.48) | TSHRCYP3A4CYP2D6SLC6A2SLC6A4 |
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-3339304-A1 | QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS | Laboratorios del Dr. Esteve, S.A. (ES) | 2018-06-27 | — | — | EP | disclosed |
| EP-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |