Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9005344 | 0.86 | CYP2D6 (0.41) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL28085757 | 0.86 | CYP2D6 (0.42) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL4668649 | 0.82 | CYP2D6 (0.41) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL9005320 | 0.82 | CYP2D6 (0.41) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL27923564 | 0.77 | CYP2D6 (0.41) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL16903727 | 0.77 | CYP2D6 (0.41) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 | |
| SCHEMBL6503240 | 0.77 | CYP2D6 (0.47) | CYP2D6GAAHDAC3HDAC1HDAC2 | |
| SCHEMBL1260232 | 0.77 | CYP2D6 (0.47) | CYP2D6GAAHDAC3HDAC1HDAC2 | |
| SCHEMBL1260230 | 0.77 | CYP2D6 (0.47) | CYP2D6GAAHDAC3HDAC1HDAC2 | |
| SCHEMBL9005331 | 0.77 | CYP2D6 (0.39) | CYP1A2CYP2C9CYP2C19HTTCYP2D6 |
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-0464817-B1 | 2,4-Dihydroxyadipic acid derivative | KANEGAFUCHI CHEMICAL IND (JP) | 1996-10-09 | — | — | EP | disclosed |
| US-5214197-A | 2,4-DIHYDROXYADIPIC ACID DERIVATIVE | KANEGAFUCHI CHEMICAL INDUSTRY CO., LTD. (JP) | 1993-05-25 | — | — | US | disclosed |
| EP-0464817-A1 | 2,4-Dihydroxyadipic acid derivative | Kanegafuchi Chemical Industry Co., Ltd. (JP) | 1992-01-08 | — | — | EP | disclosed |