Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 12/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 9/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28111698 | 0.80 | KEAP1 (0.58) | POLBALDH1A1SMN1; SMN2 | |
| SCHEMBL17064869 | 0.78 | TSHR (0.48) | NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL17064997 | 0.75 | KMT2A (0.48) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL29825658 | 0.74 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13139256 | 0.73 | ALDH1A1 (0.51) | ADRB3ADRA1APOLBALDH1A1SMN1; SMN2 | |
| SCHEMBL18630326 | 0.72 | TSHR (0.55) | NPC1RAB9A | |
| SCHEMBL28111139 | 0.71 | ALDH1A1 (0.47) | ADRA1APOLBALDH1A1SMN1; SMN2 | |
| SCHEMBL14113144 | 0.71 | NPC1 (0.93) | NPC1RAB9ADRD3POLBALDH1A1 | |
| SCHEMBL245468 | 0.71 | MEN1 (0.60) | ADRB3POLBALDH1A1SMN1; SMN2 | |
| SCHEMBL13303326 | 0.70 | LTA4H (0.55) | SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106257976-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2016-12-28 | — | — | CN | disclosed |