Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15109556 | 0.81 | KCNMA1 (0.50) | KCNMA1ESR1GRM2RAB9AKMT2A | |
| SCHEMBL12215841 | 0.77 | NPC1 (0.41) | RAB9ACYP1A2LMNANPC1 | |
| Hydrochloric Acid SCHEMBL2524182 | 0.76 | NPC1 (0.40) | RAB9ACYP1A2LMNANPC1 | |
| SCHEMBL12175671 | 0.73 | KMT2A (0.59) | KCNMA1ESR1RAB9AKMT2AALDH1A1 | |
| SCHEMBL19704930 | 0.72 | KCNMA1 (0.47) | KCNMA1ESR1GRM2RAB9AKMT2A | |
| SCHEMBL13093779 | 0.71 | KCNMA1 (0.55) | KCNMA1GRM2RAB9AKMT2AALDH1A1 | |
| SCHEMBL12167112 | 0.70 | KCNMA1 (0.42) | KCNMA1ESR1RAB9AKMT2AMGAM | |
| SCHEMBL17188809 | 0.70 | KCNMA1 (0.48) | KCNMA1RAB9AKMT2AALDH1A1CYP1A2 | |
| SCHEMBL29193554 | 0.70 | RAB9A (0.43) | KCNMA1ESR1GRM2RAB9AKMT2A | |
| SCHEMBL28244365 | 0.69 | KCNMA1 (0.61) | KCNMA1GRM2RAB9AKMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3536324-A1 | 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 | Takeda Pharmaceutical Company Limited (JP) | 2019-09-11 | — | — | EP | disclosed |