Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | MELK | Q14680 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | APLNR | P35414 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 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 | |
|---|---|---|---|---|
| SCHEMBL4683475 | 1.00 | TSHR (0.56) | TSHRMAPK1CYP1A2AGTR1LMNA | |
| SCHEMBL2946104 | 0.85 | LMNA (0.45) | TSHRMAPK1LMNAKMT2ASMN1; SMN2 | |
| SCHEMBL8844964 | 0.83 | TSHR (0.64) | TSHRMAPK1CYP1A2AGTR1LMNA | |
| SCHEMBL4687533 | 0.82 | MELK (0.44) | TSHRMAPK1MELKKDM4EADRA1A | |
| SCHEMBL7736874 | 0.81 | TSHR (0.60) | TSHRMAPK1CYP1A2AGTR1LMNA | |
| SCHEMBL4687489 | 0.79 | KMT2A (0.51) | TSHRMAPK1CYP1A2AGTR1LMNA | |
| SCHEMBL4686033 | 0.79 | KMT2A (0.51) | TSHRMAPK1CYP1A2AGTR1LMNA | |
| SCHEMBL2949258 | 0.79 | MELK (0.44) | TSHRMAPK1MELKADRA1AAPLNR | |
| SCHEMBL4683466 | 0.78 | PARP15 (0.55) | TSHRMAPK1CYP1A2AGTR1LMNA | |
| SCHEMBL4683471 | 0.78 | PARP15 (0.55) | TSHRMAPK1CYP1A2AGTR1LMNA |
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 |