Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1078460 | 0.94 | SIGMAR1 (0.37) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL151371 | 0.88 | — | — | |
| SCHEMBL1456336 | 0.69 | DAO (0.35) | LMNASMN1; SMN2HTTKMT2A | |
| SCHEMBL4914244 | 0.68 | — | — | |
| SCHEMBL84935 | 0.67 | ALDH1A1 (0.61) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL2099498 | 0.67 | CYP1A2 (0.34) | CYP1A2TSHRHTTKMT2AMEN1 | |
| Pentane SCHEMBL8722577 | 0.66 | MAPK1 (0.46) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| SCHEMBL37780 | 0.66 | — | — | |
| Pentane SCHEMBL28256229 | 0.66 | MAPK1 (0.46) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL25342847 | 0.66 | MAPK1 (0.62) | ALDH1A1MAPK1CYP1A2CHRM2CHRM1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0810209-A2 | Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 1997-12-03 | — | — | EP | claimed |
| WO-2005021506-A1 | SYNTHESIS OF 1-[4-(2-METHOXYPHENYL) PIPERAZIN-1-YL]-3-(2,6-DIOXOPIPERIDIN-1-YL) PROPANE | RANBAXY LABORATORIES LIMITED (IN) | 2005-03-10 | — | — | WO | disclosed |
| EP-0810209-A2 | Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 1997-12-03 | — | — | EP | disclosed |
| EP-0470514-B1 | Carbostyril derivatives and pharmaceutical composition containing the same | OTSUKA PHARMA CO LTD (JP) | 1997-02-19 | — | — | EP | disclosed |
| US-5300513-A | Vasopressin antagonists; vasodilators, hypotensive agents, water diuretics, and platelet agglutination inhibitors | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-04-05 | — | — | US | disclosed |
| EP-0470514-A1 | Carbostyril derivatives and pharmaceutical composition containing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-02-12 | — | — | EP | disclosed |