Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.30 |
| ▸ | CDK2 | P24941 | 3/20 | 0.30 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.30 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.30 |
| ▸ | TUBB | P07437 | 1/20 | 0.30 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.30 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.30 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.30 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.30 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19864556 | 0.89 | ALDH1A1 (0.35) | IDO1CYP17A1KCNH2SCN9AGAA | |
| SCHEMBL19864685 | 0.76 | MAPT (0.42) | HPGD | |
| SCHEMBL23619081 | 0.74 | MAPK1 (0.39) | IDO1KCNH2 | |
| SCHEMBL23619074 | 0.73 | MAPK1 (0.41) | IDO1KCNH2 | |
| SCHEMBL23611056 | 0.65 | USP30 (0.42) | KCNH2SCN9AGAAHPGD | |
| SCHEMBL28621550 | 0.60 | ALDH1A1 (0.42) | SCN9AGAAHPGD | |
| SCHEMBL23619102 | 0.59 | ALDH1A3 (0.36) | CYP17A1SCN9A | |
| SCHEMBL19859191 | 0.58 | GRM5 (0.33) | HPGD | |
| SCHEMBL23611045 | 0.58 | ACHE (0.45) | OPRM1OPRD1OPRK1GAATUBB4A | |
| SCHEMBL19859199 | 0.56 | DGAT1 (0.40) | SCN9A |
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-2018030550-A1 | HETEROCYCLIC COMPOUNDS WITH AN ROR(GAMMA)T MODULATING ACTIVITY | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-02-15 | — | — | WO | disclosed |