Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN4A | P35499 | 11/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | VDR | P11473 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SCN1A | P35498 | 2/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4688972 | 0.85 | TSHR (0.47) | SCN4AS1PR1S1PR3TSHRCYP1A2 | |
| SCHEMBL4684050 | 0.85 | TSHR (0.47) | SCN4AS1PR1S1PR3TSHRCYP1A2 | |
| SCHEMBL4550829 | 0.79 | SCN4A (0.45) | SCN4AS1PR1TSHRLMNASCN1A | |
| Hydrochloric Acid SCHEMBL2717073 | 0.77 | SCN4A (0.44) | SCN4ATSHRLMNASCN1ASCN5A | |
| SCHEMBL4688491 | 0.77 | TSHR (0.42) | SCN4AS1PR1S1PR3TSHRVDR | |
| SCHEMBL4687492 | 0.77 | HTR1A (0.42) | SCN4AS1PR1S1PR3CYP1A2CYP2D6 | |
| SCHEMBL4685426 | 0.75 | S1PR1 (0.39) | SCN4AS1PR1S1PR3CYP1A2CYP2D6 | |
| SCHEMBL12936082 | 0.74 | HTR2A (0.43) | SCN4ATSHRHTR2AHTR2BGLA | |
| SCHEMBL4687423 | 0.71 | SCN4A (0.36) | SCN4AS1PR1S1PR3SCN8AAPP | |
| SCHEMBL837043 | 0.70 | KMT2A (0.39) | SCN4ACYP1A2CYP2C9MAPT |
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 |