Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | ACACA | Q13085 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9157702 | 0.99 | GAA (0.35) | AKR1C3AKR1C2GAAPIK3CDMAPT | |
| SCHEMBL9874769 | 0.99 | AKR1C3 (0.34) | AKR1C3AKR1C2GAAPIK3CDMAPT | |
| SCHEMBL9160035 | 0.99 | GAA (0.35) | AKR1C3AKR1C2GAAPIK3CDMAPT | |
| SCHEMBL9155419 | 0.96 | AKR1C3 (0.35) | AKR1C3AKR1C2GAAPIK3CDMAPT | |
| SCHEMBL9159138 | 0.93 | AKR1C3 (0.37) | AKR1C3AKR1C2PIK3CDCYP2A6CHRNB2 | |
| SCHEMBL9156338 | 0.86 | PIK3CD (0.37) | AKR1C3AKR1C2PIK3CDCYP2A6CHRNB2 | |
| SCHEMBL8774197 | 0.86 | SLC6A2 (0.34) | GAAMAPTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9157491 | 0.86 | PTGS2 (0.35) | GAAMAPTCYP2A6ACACBACACA | |
| SCHEMBL8774193 | 0.85 | SLC6A2 (0.34) | GAAMAPTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8774253 | 0.85 | SLC6A2 (0.34) | GAAMAPTSLC6A2SLC6A4SLC6A3 |
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-0445248-B1 | PYRIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1995-03-08 | — | — | EP | disclosed |
| US-5205962-A | Stable liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-27 | — | — | US | disclosed |