Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 1/20 | 0.40 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL356363 | 0.98 | ALDH1A1 (0.42) | ALDH1A1CYP2A6TDP1HSD17B10TSHR | |
| Phosphine SCHEMBL9338516 | 0.96 | ALDH1A1 (0.41) | ALDH1A1CYP2A6TDP1HSD17B10TSHR | |
| Bromide SCHEMBL7946570 | 0.96 | ALDH1A1 (0.41) | ALDH1A1CYP2A6TDP1HSD17B10TSHR | |
| Hydrochloric Acid SCHEMBL7943443 | 0.96 | ALDH1A1 (0.41) | ALDH1A1CYP2A6TDP1HSD17B10TSHR | |
| Iodide SCHEMBL7946256 | 0.96 | ALDH1A1 (0.41) | ALDH1A1CYP2A6TDP1HSD17B10TSHR | |
| SCHEMBL146878 | 0.96 | ALDH1A1 (0.44) | ALDH1A1CYP2A6TDP1HSD17B10TSHR | |
| SCHEMBL29350037 | 0.96 | ALDH1A1 (0.44) | ALDH1A1CYP2A6TDP1HSD17B10TSHR | |
| SCHEMBL29496111 | 0.96 | ALDH1A1 (0.44) | ALDH1A1CYP2A6TDP1HSD17B10TSHR | |
| SCHEMBL5107 | 0.96 | ALDH1A1 (0.44) | ALDH1A1CYP2A6TDP1HSD17B10TSHR | |
| SCHEMBL10323632 | 0.96 | ALDH1A1 (0.44) | ALDH1A1CYP2A6TDP1HSD17B10TSHR |
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-6184415-B1 | ASYMMETRIC HYDROGENATION OF A 2-HALO(ELECTRONEGATIVE)ALKENOIC ACID/SALT (2-HALOACRYLIC ACID OR SALT), USING AN ENANTIOMETRICAL RICHED CATALYST OF 2,2'-BIS(DIARYLPHOSPHINO-PHINO-1,1'-BINAPHTHYL COMPLEX OF RUTHENIUM; HALIDE PROMOTERS | ALBEMARLE CORPORATION | 2001-02-06 | — | — | US | disclosed |