Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 16/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | NPC1 | O15118 | 5/20 | 0.34 |
| ▸ | RAB9A | P51151 | 5/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | STAT3 | P40763 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7050244 | 0.80 | ALDH1A1 (0.41) | S1PR1S1PR3SMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL26152891 | 0.75 | SMN1; SMN2 (0.35) | S1PR1S1PR3SMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL14425151 | 0.75 | SMN1; SMN2 (0.36) | SMN1; SMN2ALDH1A1NPC1RAB9ACYP1A2 | |
| SCHEMBL12194651 | 0.75 | SMN1; SMN2 (0.33) | S1PR1S1PR3SMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL12531614 | 0.74 | SMN1; SMN2 (0.36) | S1PR1S1PR3SMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL2124282 | 0.73 | — | — | |
| SCHEMBL18000492 | 0.70 | — | — | |
| SCHEMBL23845071 | 0.70 | SMPD1 (0.51) | SMN1; SMN2ALDH1A1NPC1RAB9ACYP1A2 | |
| SCHEMBL23845557 | 0.70 | SMPD1 (0.35) | SMN1; SMN2ALDH1A1NPC1RAB9ACYP1A2 | |
| SCHEMBL85820 | 0.67 | GRM5 (0.44) | S1PR1S1PR3SMN1; SMN2ALDH1A1NPC1 |
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-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| EP-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | disclosed |