Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | WRN | Q14191 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12905043 | 0.84 | GAA (0.44) | CYP1A2CYP2C19GAAMEN1KMT2A | |
| SCHEMBL63935 | 0.83 | — | — | |
| SCHEMBL28378968 | 0.83 | ALDH1A1 (0.39) | NAAAALDH1A1GAACYP2D6DGAT1 | |
| SCHEMBL126977 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP1A2HPGDMEN1KMT2A | |
| SCHEMBL6935674 | 0.81 | ALDH1A1 (0.38) | ALDH1A1GAAMEN1KMT2AL3MBTL1 | |
| Fluoride SCHEMBL28284747 | 0.80 | ALDH1A1 (0.38) | NAAAALDH1A1GAACYP2D6DGAT1 | |
| Methane SCHEMBL27671750 | 0.80 | ALDH1A1 (0.38) | NAAAALDH1A1GAACYP2D6DGAT1 | |
| SCHEMBL11765164 | 0.80 | ALDH1A1 (0.38) | NAAAALDH1A1GAACYP2D6DGAT1 | |
| SCHEMBL27365051 | 0.80 | ALDH1A1 (0.38) | NAAAALDH1A1GAACYP2D6DGAT1 | |
| Hydrochloric Acid SCHEMBL6270517 | 0.80 | ALDH1A1 (0.38) | NAAAALDH1A1GAACYP2D6DGAT1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101137650-A | 2- [ isoquinoline-S-carbonyl ] amino ] -propionic acid derivatives as inhibitors of factors XI and IX for the treatment of thrombosis | TRANSTECH PHARMA INC (US) | 2008-03-05 | — | — | CN | disclosed |