Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.31 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26155974 | 0.79 | LMNA (0.39) | LMNAGRIN1GRIN2ASLC22A1GRIN2D | |
| SCHEMBL2087447 | 0.79 | LMNA (0.39) | LMNAGRIN1GRIN2ASLC22A1GRIN2D | |
| SCHEMBL26289641 | 0.70 | APLNR (0.31) | — | |
| SCHEMBL13621433 | 0.69 | — | — | |
| SCHEMBL2847188 | 0.65 | KDM4E (0.43) | CYP2D6CYP2C19 | |
| SCHEMBL2847189 | 0.65 | KDM4E (0.43) | CYP2D6CYP2C19 | |
| SCHEMBL21020829 | 0.64 | — | — | |
| SCHEMBL12160657 | 0.63 | ALDH1A1 (0.33) | ALDH1A1TDP1 | |
| SCHEMBL15686372 | 0.61 | — | — | |
| SCHEMBL22421189 | 0.61 | — | — |
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-2020022323-A1 | HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2020-01-30 | — | — | WO | disclosed |