Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4688980 | 1.00 | CYP1A2 (0.44) | CYP1A2LMNAAGTR1MRGPRX4NPSR1 | |
| SCHEMBL14763255 | 0.83 | CYP1A2 (0.42) | CYP1A2LMNAAGTR1NPSR1CYP2D6 | |
| SCHEMBL14763253 | 0.83 | CYP1A2 (0.42) | CYP1A2LMNAAGTR1NPSR1CYP2D6 | |
| SCHEMBL4685166 | 0.83 | KDM4E (0.55) | CYP1A2AGTR1KDM4EVDR | |
| SCHEMBL6087260 | 0.83 | CYP1A2 (0.59) | CYP1A2LMNAAGTR1MAPK1KDM4E | |
| SCHEMBL4685164 | 0.83 | KDM4E (0.55) | CYP1A2AGTR1KDM4EVDR | |
| SCHEMBL9448494 | 0.83 | KDM4E (0.55) | CYP1A2AGTR1KDM4EVDR | |
| SCHEMBL6087221 | 0.82 | MAPK1 (0.65) | CYP1A2LMNAAGTR1MAPK1KDM4E | |
| SCHEMBL6087272 | 0.80 | CYP1A2 (0.55) | CYP1A2LMNAAGTR1MAPK1KDM4E | |
| SCHEMBL4687860 | 0.79 | MRGPRX4 (0.46) | LMNAMRGPRX4NPSR1SLC6A2SLC6A4 |
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 |