Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 4/20 | 0.55 |
| ▸ | CTSL | P07711 | 4/20 | 0.55 |
| ▸ | CTSK | P43235 | 3/20 | 0.55 |
| ▸ | CTSS | P25774 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | ELANE | P08246 | 2/20 | 0.50 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | CASP3 | P42574 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | CASP6 | P55212 | 1/20 | 0.49 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3731639 | 0.88 | CTSB (0.56) | CTSBCTSLCTSKCTSSMEN1 | |
| SCHEMBL24556965 | 0.88 | CTSK (0.58) | CTSBCTSLCTSKCTSSMEN1 | |
| SCHEMBL3732500 | 0.87 | CTSL (0.57) | CTSBCTSLCTSKCTSSMEN1 | |
| SCHEMBL10535601 | 0.86 | TRPM8 (0.62) | CTSBCTSLCTSKCTSSMEN1 | |
| SCHEMBL28892051 | 0.86 | TRPM8 (0.62) | CTSBCTSLCTSKCTSSMEN1 | |
| SCHEMBL10535596 | 0.86 | TRPM8 (0.62) | CTSBCTSLCTSKCTSSMEN1 | |
| SCHEMBL7855067 | 0.85 | CTSB (0.55) | CTSBCTSLCTSKCTSSMEN1 | |
| SCHEMBL13352332 | 0.84 | CTSB (0.57) | CTSBCTSLCTSKCTSSMEN1 | |
| SCHEMBL14595222 | 0.84 | CTSB (0.59) | CTSBCTSLCTSKCTSSMEN1 | |
| SCHEMBL24596987 | 0.84 | CTSB (0.59) | CTSBCTSLCTSKCTSSMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6380388-B1 | ACTIVITY AGAINST RETROVIRUSES SUCH AS HUMAN IMMUNODEFICIENCY VIRUS (HIV), HEPATITIS B VIRUS (HBV), AND HUMAN T-LYMPHOTROPIC VIRUS | BRANTFORD CHEMICALS INC. (CA) | 2002-04-30 | — | — | US | disclosed |