Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL7946567 | 0.97 | HSD17B2 (0.40) | HSD17B2HSP90AA1HSP90AB1NR1I2LMNA | |
| Hydrochloric Acid SCHEMBL7937212 | 0.97 | HSD17B2 (0.40) | HSD17B2HSP90AA1HSP90AB1NR1I2LMNA | |
| Bromide SCHEMBL7937216 | 0.97 | HSD17B2 (0.40) | HSD17B2HSP90AA1HSP90AB1NR1I2LMNA | |
| SCHEMBL1044125 | 0.97 | HSD17B2 (0.42) | HSD17B2HSP90AA1HSP90AB1NR1I2LMNA | |
| SCHEMBL9681504 | 0.87 | HSP90AA1 (0.39) | HSD17B2HSP90AA1HSP90AB1NR1I2LMNA | |
| SCHEMBL1304771 | 0.83 | MAPT (0.35) | HSD17B2HSP90AA1HSP90AB1NR1I2LMNA | |
| SCHEMBL30894430 | 0.83 | MAPT (0.35) | HSD17B2HSP90AA1HSP90AB1NR1I2LMNA | |
| Fluoride Ion SCHEMBL7937209 | 0.83 | RAB9A (0.40) | HSP90AA1MAPTMEN1KMT2AHPGD | |
| Fluoride Ion SCHEMBL7948367 | 0.82 | ALDH1A1 (0.41) | LMNAGPR84MAPTALDH1A1CYP2A6 | |
| SCHEMBL10589304 | 0.82 | HSD17B2 (0.37) | HSD17B2HSP90AA1HSP90AB1NR1I2LMNA |
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 |