Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23850504 | 0.98 | ALDH1A1 (0.47) | ALDH1A1KDM4EKMT2AMEN1CYP1A2 | |
| SCHEMBL23850464 | 0.94 | ALDH1A1 (0.44) | ALDH1A1KDM4EKMT2AMEN1CYP1A2 | |
| SCHEMBL3073484 | 0.82 | KDM4E (0.47) | ALDH1A1KDM4ETSHRSMN1; SMN2HTT | |
| Trifluoroacetic Acid SCHEMBL23853666 | 0.80 | CXCL8 (0.41) | ALDH1A1KDM4EKMT2AMEN1CYP1A2 | |
| SCHEMBL22817829 | 0.78 | SLC6A2 (0.43) | ALDH1A1KDM4EKMT2AMEN1CYP1A2 | |
| SCHEMBL3129171 | 0.78 | ALDH1A1 (0.40) | ALDH1A1KDM4EKMT2AMEN1CYP1A2 | |
| SCHEMBL19039738 | 0.77 | TRPC3 (0.35) | ALDH1A1KDM4EKMT2AMEN1CYP1A2 | |
| SCHEMBL11548078 | 0.76 | CA12 (0.52) | ALDH1A1KMT2AMEN1PKMTSHR | |
| SCHEMBL4504681 | 0.76 | ALDH1A1 (0.44) | ALDH1A1KDM4EKMT2AHPGDTSHR | |
| SCHEMBL10701429 | 0.76 | KEAP1 (0.47) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 |
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-2099755-A2 | ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS | Glenmark Pharmaceuticals S.A. (CH) | 2009-09-16 | — | — | EP | claimed |
| WO-2008062276-A2 | ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (US) | 2008-05-29 | — | — | WO | claimed |
| CN-115210225-A | Substituted aminoquinolones as immuno-activated DGKALPHA inhibitors | 拜耳公司 | 2022-10-18 | — | — | CN | disclosed |