Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.70 |
| ▸ | HTT | P42858 | 1/20 | 0.65 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.60 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.60 |
| ▸ | EGFR | P00533 | 2/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.59 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.59 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.59 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.59 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.59 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.59 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.59 |
| ▸ | MMP13 | P45452 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL30646449 | 0.90 | HPGD (0.67) | SMN1; SMN2HTTHDAC1HDAC6HIF1A | |
| SCHEMBL5723909 | 0.90 | HPGD (0.67) | SMN1; SMN2HTTHDAC1HDAC6HIF1A | |
| SCHEMBL14817912 | 0.84 | ALDH1A1 (0.51) | SMN1; SMN2HTTHDAC1HIF1ACA2 | |
| SCHEMBL12459658 | 0.84 | CA2 (0.52) | SMN1; SMN2HTTEPHX2NR1H4HDAC1 | |
| SCHEMBL14817978 | 0.84 | ALDH1A1 (0.59) | SMN1; SMN2HTTHDAC3HDAC1NPC1 | |
| SCHEMBL539059 | 0.80 | EPHX2 (0.84) | SMN1; SMN2EPHX2NR1H4EGFRHDAC3 | |
| SCHEMBL4926867 | 0.77 | CYP2D6 (0.50) | SMN1; SMN2NPC1HIF1ACA2ALDH1A1 | |
| SCHEMBL4839587 | 0.77 | TSHR (0.59) | HTTHIF1ACA2ALDH1A1HPGD | |
| SCHEMBL3389986 | 0.76 | HPGD (0.57) | SMN1; SMN2HTTNPC1HIF1ALMNA | |
| SCHEMBL21812516 | 0.75 | EGFR (0.57) | SMN1; SMN2HTTEPHX2NR1H4EGFR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004014844-A2 | ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION | TRANSTECH PHARMA, INC. (US) | 2004-02-19 | — | — | WO | disclosed |