Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.39 |
| ▸ | CCR5 | P51681 | 2/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27738318 | 0.92 | HTT (0.46) | CYP19A1PTGS2CYP3A4NPC1HPGD | |
| SCHEMBL8732546 | 0.83 | CCR5 (0.45) | CYP19A1PTGS2CYP3A4ALOX5CCR5 | |
| SCHEMBL5800572 | 0.81 | CYP19A1 (0.46) | CYP19A1PTGS2CYP3A4NPC1HPGD | |
| SCHEMBL5678432 | 0.79 | ALOX5 (0.56) | CYP19A1PTGS2CYP3A4NPC1HPGD | |
| SCHEMBL1613192 | 0.78 | PGK1 (0.30) | — | |
| SCHEMBL4743744 | 0.78 | HTT (0.39) | CYP19A1NPC1HPGDMAPK1HTT | |
| SCHEMBL1083389 | 0.78 | SKP2 (0.41) | CYP19A1PTGS2ALOX5CCR5TYR | |
| SCHEMBL18371585 | 0.76 | CYP19A1 (0.55) | CYP19A1PTGS2CYP3A4NPC1HPGD | |
| SCHEMBL29487433 | 0.76 | TYR (0.44) | PTGS2CYP3A4HTTTYRSRC | |
| SCHEMBL1610978 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100509162-C | Process for preparing a catalyst for partial oxidation of toluene | LG CHEMICAL LTD (KR) | 2009-07-08 | — | — | CN | disclosed |
| CN-101018607-A | Method for preparing catalyst for partial oxidation of methylbenzenes | LG CHEMICAL LTD (KR) | 2007-08-15 | — | — | CN | disclosed |