Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | BCR | P11274 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | UGT1A1 | P22309 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.33 |
| ▸ | MLNR | O43193 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | CCKAR | P32238 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | GHSR | Q92847 | 1/20 | 0.33 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29640239 | 1.00 | TRPV1 (0.38) | TRPV1ABL1BCRF2F10 | |
| SCHEMBL20908059 | 0.92 | CTSS (0.34) | AAK1OPRK1KCNA5CTSSSMN1; SMN2 | |
| SCHEMBL28407522 | 0.92 | CTSS (0.34) | AAK1OPRK1KCNA5CTSSSMN1; SMN2 | |
| SCHEMBL21112593 | 0.90 | TRPV1 (0.39) | TRPV1ABL1BCRUGT1A1MLNR | |
| SCHEMBL21112588 | 0.90 | TRPV1 (0.39) | TRPV1ABL1BCRUGT1A1MLNR | |
| SCHEMBL22579540 | 0.85 | AAK1 (0.40) | AAK1OPRK1CTSSSMN1; SMN2 | |
| SCHEMBL28407518 | 0.85 | AAK1 (0.40) | AAK1OPRK1CTSSSMN1; SMN2 | |
| SCHEMBL29640353 | 0.85 | OPRK1 (0.39) | AAK1OPRK1CTSSSMN1; SMN2 | |
| SCHEMBL29640243 | 0.83 | CYP3A4 (0.32) | KCNH2 | |
| SCHEMBL28405406 | 0.82 | SSTR4 (0.35) | F2PRSS1AAK1OPRK1CTSS |
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-111212832-A | 1-benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors | 吉利德科学公司 | 2020-05-29 | — | — | CN | disclosed |