Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SORT1 | Q99523 | 3/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.30 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL363549 | 1.00 | NPC1 (0.34) | NPC1RAB9ASORT1TRPV1TP53 | |
| SCHEMBL364193 | 1.00 | NPC1 (0.34) | NPC1RAB9ASORT1TRPV1TP53 | |
| SCHEMBL363061 | 0.90 | KCNN4 (0.34) | SORT1MAPK1NR3C2NPSR1KDM4E | |
| SCHEMBL362720 | 0.89 | SORT1 (0.33) | NPC1RAB9ASORT1NR3C2ALDH1A1 | |
| SCHEMBL362081 | 0.89 | HSD17B1 (0.33) | SORT1NR3C2ALDH1A1CYP3A4 | |
| SCHEMBL364536 | 0.88 | SORT1 (0.35) | SORT1TRPV1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL364659 | 0.86 | KCNK3 (0.33) | NPC1RAB9ASORT1TRPV1ALDH1A1 | |
| SCHEMBL363769 | 0.86 | PTPN1 (0.33) | NR3C2 | |
| SCHEMBL364539 | 0.86 | POLB (0.32) | — | |
| SCHEMBL365152 | 0.86 | PTPN1 (0.33) | NR3C2 |
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-2593426-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007365-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |