Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OTUD7B | Q6GQQ9 | 3/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29604529 | 1.00 | OTUD7B (0.41) | OTUD7BOPRD1CYP2D6KCNH2GABRD | |
| SCHEMBL30948433 | 0.82 | ALDH1A1 (0.46) | GABRDGABRA1GABRB1GABRA5GABRA3 | |
| SCHEMBL30948434 | 0.82 | ALDH1A1 (0.46) | GABRDGABRA1GABRB1GABRA5GABRA3 | |
| SCHEMBL31657080 | 0.81 | KDM1A (0.44) | OPRD1CYP2D6KCNH2GABRDGABRA1 | |
| SCHEMBL22789664 | 0.81 | KDM1A (0.44) | OPRD1CYP2D6KCNH2GABRDGABRA1 | |
| SCHEMBL12608360 | 0.77 | HTR2C (0.50) | OPRD1ALDH1A1 | |
| SCHEMBL29604753 | 0.77 | SMYD3 (0.40) | OTUD7BOPRD1CYP2D6GABRDGABRA1 | |
| SCHEMBL30341789 | 0.76 | OTUD7B (0.46) | OTUD7BOPRD1CYP2D6KCNH2PDK2 | |
| SCHEMBL23024527 | 0.75 | OTUD7B (0.38) | OTUD7BOPRD1CYP2D6KCNH2PDK2 | |
| SCHEMBL30529476 | 0.75 | OTUD7B (0.38) | OTUD7BOPRD1CYP2D6KCNH2PDK2 |
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-3878853-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE | Shanghai Ringene BioPharma Co., Ltd. (CN) | 2021-09-15 | — | — | EP | disclosed |