Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.46 |
| ▸ | ERCC1 | P07992 | 2/20 | 0.44 |
| ▸ | ERCC4 | Q92889 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9911520 | 0.85 | ERCC1 (0.59) | TRPA1ERCC1ERCC4MEN1CYP3A4 | |
| SCHEMBL12312617 | 0.82 | SLC2A1 (0.42) | MEN1CYP3A4KMT2AALDH1A1CYP1A2 | |
| SCHEMBL15981393 | 0.79 | ERCC1 (0.49) | TRPA1ERCC1ERCC4MEN1CYP3A4 | |
| SCHEMBL17576040 | 0.79 | ESR1 (0.47) | TRPA1PTGS1CACNA1CERCC1ERCC4 | |
| SCHEMBL28285719 | 0.78 | GABRA1 (0.50) | TRPA1ERCC1ERCC4MEN1CYP3A4 | |
| Hydrochloric Acid SCHEMBL1000376 | 0.76 | SLC2A1 (0.41) | MEN1KMT2AKDM4EALDH1A1HPGD | |
| SCHEMBL18251691 | 0.76 | ERCC1 (0.77) | ERCC1ERCC4MEN1CYP3A4KMT2A | |
| SCHEMBL13881303 | 0.75 | MEN1 (0.51) | MEN1KMT2AALOX15KDM4EALDH1A1 | |
| SCHEMBL28259627 | 0.75 | ERCC1 (0.39) | TRPA1ERCC1ERCC4MEN1CYP3A4 | |
| SCHEMBL3271284 | 0.75 | SIGMAR1 (0.48) | ALOX15ALDH1A1MAPK1CYP1A2CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8198458-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-12 | — | — | US | disclosed |