Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TNNC1 | P63316 | 5/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | TACR2 | P21452 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | GPR183 | P32249 | 1/20 | 0.40 |
| ▸ | CERS2 | Q96G23 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL11023368 | 0.84 | HPGD (0.56) | PTGS2CYP3A4TNNC1S1PR1SGPL1 | |
| SCHEMBL6143579 | 0.82 | HPGD (0.58) | PTGS2CYP3A4ALDH1A1HPGDHTT | |
| SCHEMBL30372303 | 0.80 | GPR35 (0.48) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL13041256 | 0.79 | PTGS2 (0.44) | PTGS2CYP3A4TNNC1ESR1ADRA2A | |
| SCHEMBL11024967 | 0.79 | DAO (0.58) | PTGS2ALDH1A1 | |
| SCHEMBL11453552 | 0.79 | MAPT (0.61) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL2490471 | 0.79 | DAO (0.58) | PTGS2ALDH1A1 | |
| SCHEMBL15177362 | 0.79 | MAPT (0.61) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL11718951 | 0.79 | DAO (0.58) | PTGS2ALDH1A1 | |
| SCHEMBL6695315 | 0.79 | SMN1; SMN2 (0.44) | PTGS2CYP3A4ALDH1A1LMNAHPGD |
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-2417177-A1 | OLIGOMERIC AND POLYMERIC SEMICONDUCTORS BASED ON THIENOTHIAZOLES | Heraeus Precious Metals GmbH & Co. KG (DE) | 2012-02-15 | — | — | EP | disclosed |
| WO-2010115623-A1 | OLIGOMERIC AND POLYMERIC SEMICONDUCTORS BASED ON THIENOTHIAZOLES | H.C.STARCK CLEVIOS GMBH (DE) | 2010-10-14 | — | — | WO | disclosed |