Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5597577 | 0.81 | ALDH1A1 (0.42) | KDM4EALDH1A1HTTMAPTCYP1A2 | |
| SCHEMBL15666382 | 0.76 | LIG1 (0.40) | KDM4EPOLBSMN1; SMN2HTR2AALDH1A1 | |
| SCHEMBL3551171 | 0.72 | CYP3A4 (0.40) | KDM4EPOLBSMN1; SMN2PTGS1PTGS2 | |
| SCHEMBL3959073 | 0.69 | FLT3 (0.54) | PKMALDH1A1NPC1HPGDRAB9A | |
| SCHEMBL10631908 | 0.69 | BRD4 (0.61) | KDM4EPOLBSMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL30428722 | 0.69 | BRD4 (0.61) | KDM4EPOLBSMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL5888949 | 0.68 | HPGD (0.37) | SMN1; SMN2HTR2APTGS1PTGS2ALDH1A1 | |
| SCHEMBL1355596 | 0.66 | ALDH1A1 (0.45) | KDM4ESMN1; SMN2ALDH1A1HTTNPC1 | |
| SCHEMBL7771748 | 0.66 | HSD17B1 (0.46) | PKMSMN1; SMN2ALDH1A1MAPTGAA | |
| SCHEMBL9024109 | 0.64 | LMNA (0.45) | KDM4EPOLBSMN1; SMN2PTGS2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4757084-A | Pharmaceuticals | MERCK & CO., INC. (US) | 1988-07-12 | — | — | US | disclosed |
| EP-0217204-A1 | Trans-2-(3,4,5-trimethoxyphenyl)-5-(5,6-dimethoxy-3-pyridyl)-tetrahydrothiophene, a PAF-antagonist | MERCK & CO. INC. (US) | 1987-04-08 | — | — | EP | disclosed |