Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPN1 | P15169 | 1/20 | 0.42 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | F2 | P00734 | 2/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 5/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1607253 | 0.88 | ALDH1A1 (0.48) | CPN1CPB2ALDH1A1TDP1TSHR | |
| SCHEMBL8860031 | 0.88 | ALDH1A1 (0.48) | CPN1CPB2ALDH1A1TDP1TSHR | |
| Tetrabuthylammonium SCHEMBL8765993 | 0.77 | TSHR (0.38) | CPN1CPB2ALDH1A1TDP1TSHR | |
| SCHEMBL3442405 | 0.74 | LMNA (0.45) | CPN1CPB2ALDH1A1TDP1TSHR | |
| Hydrochloric Acid SCHEMBL4981063 | 0.73 | CA1 (0.44) | CPN1CPB2ALDH1A1TDP1TSHR | |
| SCHEMBL1606280 | 0.72 | ALDH1A1 (0.46) | CPN1CPB2ALDH1A1TDP1TSHR | |
| SCHEMBL1606418 | 0.72 | CPN1 (0.45) | CPN1CPB2ALDH1A1TDP1TSHR | |
| SCHEMBL13310031 | 0.71 | ALDH1A1 (0.48) | ALDH1A1TDP1CA1CA2CA9 | |
| SCHEMBL1607256 | 0.71 | CPN1 (0.47) | CPN1CPB2ALDH1A1TDP1TSHR | |
| Sulfuric Acid SCHEMBL2987326 | 0.70 | PNMT (0.51) | CPN1CPB2ALDH1A1TDP1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0659175-B1 | OPTICALLY ACTIVE ALKYLAMMONIUM (AMINO-3 PHENYL)-1 ETHANESULFONATE DERIVATIVES, PREPARATION AND USE THEREOF | RHONE POULENC RORER SA (FR) | 1997-08-13 | — | — | EP | claimed |