Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5759567 | 0.80 | HDAC1 (0.31) | HDAC6 | |
| SCHEMBL5759799 | 0.79 | SMN1; SMN2 (0.43) | LMNACYP1A2MAPTSMN1; SMN2TDP1 | |
| SCHEMBL5759997 | 0.73 | HTT (0.39) | MAPK14CYP1A2SLC6A2SLC6A3L3MBTL1 | |
| SCHEMBL6965549 | 0.73 | — | — | |
| SCHEMBL1526656 | 0.73 | — | — | |
| SCHEMBL447619 | 0.73 | LMNA (0.44) | PKMLMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL5755368 | 0.71 | CHRM2 (0.36) | LTA4HCYP2C19SLC6A3GABRA1GABRG2 | |
| SCHEMBL5757256 | 0.71 | GABRA1 (0.34) | CYP1A2CYP2C19GABRA1GABRG2GABRB3 | |
| SCHEMBL5761509 | 0.71 | — | — | |
| SCHEMBL223680 | 0.71 | ALDH1A1 (0.61) | LTA4HMAPK14PKMLMNACYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6762197-B2 | FUNGICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-07-13 | — | — | US | disclosed |
| EP-1238975-A1 | DIFLUOROMETHYLTRIAZOLONE COMPOUNDS, USE OF THE SAME AND INTERMEDIATES FOR THE PRODUCTION THEREOF | Sumitomo Chemical Company, Limited (JP) | 2002-09-11 | — | — | EP | disclosed |
| US-4435401-A | 4-Amino-6,7-dimethoxy-2-(4-heteroaryl-piperazino)quinazoline antihypertensives | PFIZER INC. (US) | 1984-03-06 | — | — | US | disclosed |