Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.42 |
| ▸ | CPB1 | P15086 | 1/20 | 0.41 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27966806 | 0.86 | EGLN2 (0.55) | EGLN2SMN1; SMN2CYP2E1CYP2A6CPB1 | |
| SCHEMBL22184926 | 0.78 | CYP2E1 (0.51) | EGLN2SMN1; SMN2CYP2E1CYP2A6KDM4E | |
| SCHEMBL31095576 | 0.77 | NOS3 (0.45) | EGLN2SMN1; SMN2ALDH1A1HTTHSD17B10 | |
| SCHEMBL13177332 | 0.77 | KDM4E (0.64) | EGLN2SMN1; SMN2CYP2E1CYP2A6ALDH1A1 | |
| SCHEMBL6172976 | 0.77 | SMN1; SMN2 (0.43) | EGLN2SMN1; SMN2ALDH1A1HTTHSD17B10 | |
| SCHEMBL2159955 | 0.77 | NOS3 (0.45) | EGLN2SMN1; SMN2ALDH1A1HTTHSD17B10 | |
| SCHEMBL30337851 | 0.77 | SMN1; SMN2 (0.43) | EGLN2SMN1; SMN2ALDH1A1HTTHSD17B10 | |
| SCHEMBL12759471 | 0.77 | SMN1; SMN2 (0.43) | EGLN2SMN1; SMN2ALDH1A1HTTHSD17B10 | |
| SCHEMBL22185839 | 0.77 | CPB2 (0.44) | EGLN2SMN1; SMN2ALDH1A1HTTHSD17B10 | |
| SCHEMBL4752191 | 0.76 | EGLN2 (1.00) | EGLN2SMN1; SMN2KDM4ESLC11A2 |
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 |