Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | CASP9 | P55211 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 2/20 | 0.35 |
| ▸ | CTSB | P07858 | 4/20 | 0.34 |
| ▸ | CTSK | P43235 | 3/20 | 0.34 |
| ▸ | CTSL | P07711 | 3/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ECE1 | P42892 | 2/20 | 0.34 |
| ▸ | MME | P08473 | 1/20 | 0.34 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL7787420 | 0.91 | CYP3A4 (0.38) | CASP1CASP3CASP7CASP9CASP6 | |
| SCHEMBL8148353 | 0.87 | CYP3A4 (0.45) | CASP1CASP3ELANECTSBCTSK | |
| SCHEMBL3726928 | 0.83 | CTSL (0.47) | CASP1CASP3CASP7CASP9CASP6 | |
| SCHEMBL3729516 | 0.80 | CTSB (0.49) | CASP1ELANECTSBCTSKCTSL | |
| SCHEMBL24131772 | 0.78 | CTSB (0.48) | CASP1CASP3ELANECTSBCTSK | |
| SCHEMBL3731563 | 0.78 | CTSB (0.52) | CASP1CASP3CASP7CASP9CASP6 | |
| SCHEMBL7676348 | 0.77 | CTSL (0.53) | CASP3ELANECTSBCTSKCTSL | |
| SCHEMBL3797250 | 0.77 | CTSL (0.53) | CASP3ELANECTSBCTSKCTSL | |
| SCHEMBL8130093 | 0.76 | CYP3A4 (0.46) | CASP1ELANECTSBCTSKCTSL | |
| SCHEMBL8130189 | 0.76 | CASP1 (0.47) | CASP1ELANECTSBCTSKCTSL |
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 |
|---|---|---|---|---|---|---|---|
| EP-1150956-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MEDIVIR AB (SE) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000047561-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MEDIVIR AB (SE) | 2000-08-17 | — | — | WO | disclosed |