Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.46 |
| ▸ | EDNRB | P24530 | 1/20 | 0.44 |
| ▸ | EDNRA | P25101 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7198696 | 0.80 | PTGS2 (0.58) | PTGS2EDNRBEDNRAKMT2ATP53 | |
| SCHEMBL7173940 | 0.77 | PTGS2 (0.46) | PTGS2EDNRBEDNRAKMT2ATP53 | |
| SCHEMBL3016461 | 0.77 | PTGS2 (0.46) | PTGS2EDNRBEDNRAKMT2ATP53 | |
| SCHEMBL6515728 | 0.74 | PTGS2 (0.33) | PTGS2KMT2APDE4BKDM4EMEN1 | |
| SCHEMBL29415251 | 0.70 | HTR6 (0.43) | TP53ALOX15PDE4BKDM4EALDH1A1 | |
| SCHEMBL777664 | 0.70 | HTR6 (0.43) | TP53ALOX15PDE4BKDM4EALDH1A1 | |
| SCHEMBL8778284 | 0.68 | KEAP1 (0.42) | PTGS2KMT2ATP53ALOX15MAPK1 | |
| SCHEMBL3321379 | 0.67 | KDM4E (0.56) | KMT2ATP53ALOX15MAPK1KDM4E | |
| Water SCHEMBL28395492 | 0.66 | HTR6 (0.48) | KMT2AMAPK1NPSR1KDM4EALDH1A1 | |
| SCHEMBL8761424 | 0.66 | CA1 (0.54) | PTGS2ALDH1A1 |
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-1276736-A2 | REGIOSELECTIVE SYNTHESIS OF 3,4-DI(CARBOCYCLYL OR HETEROCYCLYL)THIOPHENES | Pharmacia Corporation (US) | 2003-01-22 | — | — | EP | disclosed |
| WO-2001081333-A2 | REGIOSELECTIVE SYNTHESIS OF 3,4-DI(CARBOCYCLYL OR HETEROCYCLYL)THIOPHENES | PHARMACIA CORPORATION (US) | 2001-11-01 | — | — | WO | disclosed |