Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22184949 | 0.81 | ALDH1A1 (0.40) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1MEN1 | |
| SCHEMBL22185637 | 0.81 | ALDH1A1 (0.40) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1MEN1 | |
| SCHEMBL22198972 | 0.79 | HSD17B10 (0.53) | SMN1; SMN2ALDH1A1L3MBTL1HSD17B10ADRA2A | |
| SCHEMBL22199015 | 0.79 | CYP1A2 (0.47) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1MEN1 | |
| SCHEMBL22199023 | 0.78 | LTA4H (0.39) | CYP1A2CYP2C19MEN1KMT2AL3MBTL1 | |
| SCHEMBL22904575 | 0.76 | CYP1A2 (0.47) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1MEN1 | |
| SCHEMBL22199028 | 0.76 | SLC6A4 (0.39) | CYP1A2CYP2C19MEN1KMT2AL3MBTL1 | |
| SCHEMBL10379455 | 0.75 | TSHR (0.48) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1MEN1 | |
| SCHEMBL12679785 | 0.75 | MEN1 (0.43) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1MEN1 | |
| SCHEMBL15536686 | 0.75 | TSHR (0.45) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1MEN1 |
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-2020141439-A1 | HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS | INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) | 2020-07-09 | — | — | WO | disclosed |