Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 3/20 | 0.54 |
| ▸ | CTSB | P07858 | 3/20 | 0.47 |
| ▸ | CTSK | P43235 | 3/20 | 0.47 |
| ▸ | CTSL | P07711 | 3/20 | 0.47 |
| ▸ | CCR1 | P32246 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22209493 | 0.92 | CAPN1 (0.59) | CAPN1CTSBCTSKCTSLCCR1 | |
| SCHEMBL18620610 | 0.92 | CAPN1 (0.59) | CAPN1CTSBCTSKCTSLCCR1 | |
| SCHEMBL30896685 | 0.91 | CAPN1 (0.53) | CAPN1CTSBCTSKCTSLCMA1 | |
| SCHEMBL22798219 | 0.88 | CAPN1 (0.61) | CAPN1CTSBCTSKCTSLCCR1 | |
| SCHEMBL18619561 | 0.88 | CAPN1 (0.61) | CAPN1CTSBCTSKCTSLCCR1 | |
| SCHEMBL22798286 | 0.88 | CAPN1 (0.61) | CAPN1CTSBCTSKCTSLCCR1 | |
| SCHEMBL18619560 | 0.88 | CAPN1 (0.61) | CAPN1CTSBCTSKCTSLCCR1 | |
| SCHEMBL1992452 | 0.83 | FKBP1A (0.60) | CAPN1CTSBCTSKCTSLCCR1 | |
| SCHEMBL16267286 | 0.82 | POLB (0.47) | CAPN1CTSKCTSLPOLBFKBP1A | |
| SCHEMBL21813224 | 0.82 | CAPN1 (0.52) | CAPN1CTSBCTSKCTSLCCR1 |
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-3699176-A2 | ANTIVIRAL COMPOUNDS | Gilead Pharmasset LLC (US) | 2020-08-26 | — | — | EP | disclosed |