Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 3/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | GBA2 | Q9HCG7 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.31 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.31 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | GBA1 | P04062 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4083012 | 0.77 | GBA2 (0.43) | POLBBCHEGBA2ALDH1A1GAA | |
| SCHEMBL5015303 | 0.73 | GBA1 (0.41) | LMNABCHEGBA2GBA1 | |
| SCHEMBL26050348 | 0.72 | GBA2 (0.47) | POLBGBA2ALDH1A1GAAMEN1 | |
| SCHEMBL26050252 | 0.68 | GBA1 (0.45) | LMNAGBA2GBA1 | |
| SCHEMBL5337084 | 0.67 | CHRM1 (0.48) | LMNAMAPK1HTTPOLBHPGD | |
| SCHEMBL19415050 | 0.65 | SMN1; SMN2 (0.37) | LMNAPOLBALDH1A1GAAMEN1 | |
| SCHEMBL9863071 | 0.65 | GBA1 (0.48) | BCHEGBA2S1PR5GNAI3GNAO1 | |
| SCHEMBL3243918 | 0.64 | ALDH1A1 (0.41) | POLBUSP2ALDH1A1GAAMAPT | |
| SCHEMBL26136282 | 0.64 | SMN1; SMN2 (0.32) | S1PR5 | |
| SCHEMBL4861109 | 0.64 | ALOX5 (0.36) | HTTBCHEALDH1A1MEN1KMT2A |
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-1906987-A4 | METHODS AND COMPOSITIONS FOR EMERGENCY CONTRACEPTION USING ENDOTHELIN RECEPTOR ANTAGONISTS | POPULATION COUNCIL INC (US) | 2009-01-28 | — | — | EP | disclosed |
| EP-1906987-A1 | METHODS AND COMPOSITIONS FOR EMERGENCY CONTRACEPTION USING ENDOTHELIN RECEPTOR ANTAGONISTS | The Population Council, Inc. (US) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007012006-A1 | METHODS AND COMPOSITIONS FOR EMERGENCY CONTRACEPTION USING ENDOTHELIN RECEPTOR ANTAGONISTS | THE POPULATION COUNCIL, INC. (US) | 2007-01-25 | — | — | WO | disclosed |
| WO-2002017912-A1 | ENDOTHELIN ANTAGONISTS | ABBOTT LABORATORIES (US) | 2002-03-07 | — | — | WO | disclosed |
| EP-1003740-A2 | PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGOISTS | Abbott Laboratories (US) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999006397-A2 | PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS | ABBOTT LABORATORIES (US) | 1999-02-11 | — | — | WO | disclosed |