Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9911472 | 0.77 | CHRM5 (0.58) | GAAHTTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL8784235 | 0.77 | S1PR5 (0.44) | GAAHTTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL24568858 | 0.77 | GAA (0.54) | GAAHTTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL29953408 | 0.75 | CHRM5 (0.42) | GAAHTTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL24739915 | 0.75 | SIGMAR1 (0.55) | GAAHTTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL7522334 | 0.74 | S1PR5 (0.48) | GAAALDH1A1SMN1; SMN2KDM4ES1PR5 | |
| SCHEMBL7517115 | 0.74 | S1PR5 (0.41) | SMN1; SMN2S1PR5S1PR4S1PR1S1PR3 | |
| SCHEMBL29956473 | 0.74 | SIGMAR1 (0.40) | GAAHTTALDH1A1KDM4EKDM4C | |
| SCHEMBL29328161 | 0.74 | HTT (0.37) | GAAHTTALDH1A1KDM4EKDM4C | |
| SCHEMBL29324576 | 0.73 | SIGMAR1 (0.38) | GAAHTTALDH1A1KDM4EKDM4C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0885215-A1 | NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS | Abbott Laboratories (US) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997030045-A1 | NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS | ABBOTT LABORATORIES (US) | 1997-08-21 | — | — | WO | disclosed |