Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR5 | Q9H228 | 5/20 | 0.48 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.48 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.44 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.44 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8784235 | 0.91 | S1PR5 (0.44) | S1PR5S1PR4S1PR1S1PR3GNAI3 | |
| SCHEMBL7407489 | 0.89 | S1PR5 (0.42) | S1PR5S1PR4S1PR1S1PR3GNAI3 | |
| SCHEMBL6897984 | 0.78 | ALDH1A1 (0.57) | ALDH1A1KDM4ESMN1; SMN2SIGMAR1MEN1 | |
| SCHEMBL14554075 | 0.77 | S1PR5 (0.56) | S1PR5S1PR4S1PR1S1PR3SMN1; SMN2 | |
| SCHEMBL13766174 | 0.77 | S1PR5 (0.56) | S1PR5S1PR4S1PR1S1PR3SMN1; SMN2 | |
| SCHEMBL7402269 | 0.75 | SIGMAR1 (0.54) | S1PR5S1PR4S1PR1S1PR3ALDH1A1 | |
| SCHEMBL7512062 | 0.75 | S1PR5 (0.57) | S1PR5S1PR4S1PR1S1PR3SMN1; SMN2 | |
| SCHEMBL29955822 | 0.75 | SIGMAR1 (0.44) | GNAI3GNAO1GNAI1ALDH1A1GAA | |
| SCHEMBL22600490 | 0.75 | ALDH1A1 (0.50) | S1PR1ALDH1A1GAAKDM4EPOLB | |
| SCHEMBL13032706 | 0.75 | ALDH1A1 (0.50) | S1PR1ALDH1A1GAAKDM4EPOLB |
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 2 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 |