Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.37 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.37 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.37 |
| ▸ | ALB | P02768 | 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 | |
|---|---|---|---|---|
| SCHEMBL5326026 | 0.78 | PTGS2 (0.67) | PTGS2TSHRPTGS1LMNACYP2C9 | |
| SCHEMBL7129680 | 0.78 | SRC (0.48) | PTGS2CYP1A2CYP2D6MAPK1HSD17B10 | |
| SCHEMBL7732388 | 0.76 | ALDH1A1 (0.44) | PTGS2CYP1A2CYP2D6MAPK1HSD17B10 | |
| SCHEMBL4261067 | 0.75 | PTGS2 (0.44) | PTGS2CYP1A2CYP2D6MAPK1HSD17B10 | |
| SCHEMBL7732432 | 0.73 | ALDH1A1 (0.42) | PTGS2CYP1A2CYP2D6MAPK1HSD17B10 | |
| SCHEMBL28309551 | 0.73 | CYP1A2 (0.45) | PTGS2CYP1A2CYP2D6MAPK1HSD17B10 | |
| SCHEMBL7732409 | 0.73 | ALDH1A1 (0.44) | PTGS2CYP1A2CYP2D6MAPK1HSD17B10 | |
| SCHEMBL11828133 | 0.72 | PTGS2 (0.52) | PTGS2CYP1A2CYP2D6MAPK1HSD17B10 | |
| Hydrogen Peroxide SCHEMBL7816450 | 0.72 | ALDH1A1 (0.58) | CYP1A2CYP2D6MAPK1HSD17B10SMN1; SMN2 | |
| Hydrogen Peroxide SCHEMBL5496256 | 0.72 | ALDH1A1 (0.58) | CYP1A2CYP2D6MAPK1HSD17B10SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6416861-B1 | COMBINATORIAL CHEMISTRY | NORTHWESTERN UNIVERSITY | 2002-07-09 | — | — | US | disclosed |
| WO-2000049022-A2 | ORGANOSILICON COMPOUNDS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2000-08-24 | — | — | WO | disclosed |