Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5858877 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6SMN1; SMN2USP2 | |
| SCHEMBL5859680 | 0.78 | MEN1 (0.50) | CYP1A2CYP3A4CYP2D6SMN1; SMN2USP2 | |
| SCHEMBL7748824 | 0.73 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6SMN1; SMN2USP2 | |
| SCHEMBL23633170 | 0.69 | RAB9A (0.39) | CYP1A2CYP3A4CYP2D6SMN1; SMN2USP2 | |
| SCHEMBL7837246 | 0.69 | SMN1; SMN2 (0.56) | CYP1A2SMN1; SMN2CYP2C19HPGDALDH1A1 | |
| SCHEMBL8034260 | 0.69 | SMN1; SMN2 (0.49) | CYP1A2CYP3A4CYP2D6SMN1; SMN2USP2 | |
| SCHEMBL4873241 | 0.69 | NOD1 (0.66) | CYP1A2CYP2D6SMN1; SMN2KMT2ANPC1 | |
| SCHEMBL11200631 | 0.69 | HTT (0.47) | CYP1A2CYP3A4CYP2D6SMN1; SMN2KMT2A | |
| SCHEMBL5904001 | 0.68 | PDE10A (0.44) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9697560 | 0.68 | KDM4E (0.49) | CYP1A2CYP3A4CYP2D6SMN1; SMN2USP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0393574-B1 | Hexitol derivatives | KYOWA HAKKO KOGYO KK (JP) | 1996-01-31 | — | — | EP | disclosed |
| US-5053408-A | Cardiovascular disorders | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1991-10-01 | — | — | US | disclosed |
| EP-0393574-A2 | Hexitol derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1990-10-24 | — | — | EP | disclosed |