Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4687791 | 0.92 | MAPK1 (0.49) | MRGPRX4MAPK1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL6131023 | 0.85 | NPC1 (0.56) | MRGPRX4NPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL25781022 | 0.83 | THRA (0.50) | MRGPRX4MAPK1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL25780651 | 0.83 | THRA (0.50) | MRGPRX4MAPK1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL28383737 | 0.83 | THRA (0.49) | MRGPRX4MAPK1NPC1HPGDRAB9A | |
| SCHEMBL4464186 | 0.82 | MAPK1 (0.67) | MAPK1SLC6A4SLC6A2SLC6A3NPC1 | |
| SCHEMBL4827025 | 0.81 | MAPT (0.50) | MRGPRX4MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7783936 | 0.81 | SLC6A4 (0.43) | MRGPRX4MAPK1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL4684232 | 0.81 | MAPK1 (0.49) | MAPK1SLC6A4SLC6A2SLC6A3SMN1; SMN2 | |
| SCHEMBL4025985 | 0.81 | MAPK1 (0.65) | MAPK1TP53CHEK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1805163-B1 | 1,1A,5,5A-TETRAHYDRO-3-THIA-CYCLOPROPA[A]PENTALENES: TRICYCLIC THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-10-01 | — | — | EP | claimed |