Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK7 | P49862 | 1/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.43 |
| ▸ | STS | P08842 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | YAP1 | P46937 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24622086 | 1.00 | KLK7 (0.45) | KLK7GPR119STSSMN1; SMN2NPC1 | |
| SCHEMBL22047125 | 0.86 | KLK7 (0.45) | KLK7GPR119STSSMN1; SMN2NPC1 | |
| SCHEMBL22323941 | 0.84 | KLK7 (0.43) | KLK7GPR119STSSMN1; SMN2NPC1 | |
| SCHEMBL21996585 | 0.83 | KLK7 (0.43) | KLK7GPR119STSSMN1; SMN2NPC1 | |
| SCHEMBL20587662 | 0.77 | STS (0.51) | KLK7GPR119STSSMN1; SMN2NPC1 | |
| SCHEMBL24622087 | 0.77 | CHRM2 (0.36) | GPR119SMN1; SMN2KDM4ETHRB | |
| SCHEMBL21996435 | 0.77 | CHRM2 (0.36) | GPR119SMN1; SMN2KDM4ETHRB | |
| SCHEMBL26915827 | 0.75 | KLK7 (0.46) | KLK7STSOPRD1OPRK1 | |
| SCHEMBL24622152 | 0.74 | ABCB1 (0.41) | KLK7GPR119STSJAK2JAK1 | |
| SCHEMBL21996508 | 0.74 | ABCB1 (0.41) | KLK7GPR119STSJAK2JAK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020113077-A9 | COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2020-08-13 | — | — | WO | disclosed |
| WO-2020113077-A1 | COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2020-06-04 | — | — | WO | disclosed |