Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 3/20 | 0.37 |
| ▸ | CTSS | P25774 | 3/20 | 0.37 |
| ▸ | CTSK | P43235 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 2/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.32 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.32 |
| ▸ | BIRC2 | Q13490 | 3/20 | 0.31 |
| ▸ | Q9HBH1 | 1/20 | 0.30 | |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14678629 | 0.85 | CTSB (0.36) | CTSBCTSSCTSKCA1CA2 | |
| SCHEMBL19088625 | 0.78 | CA2 (0.37) | CA1CA2NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL30878180 | 0.78 | NOS3 (0.34) | CA1CA2NOS3NOS1NOS2 | |
| SCHEMBL3185298 | 0.77 | CA1 (0.38) | CTSBCTSSCTSKCA1CA2 | |
| SCHEMBL3185290 | 0.77 | CA1 (0.38) | CTSBCTSSCTSKCA1CA2 | |
| Bromide SCHEMBL1199908 | 0.76 | CA1 (0.37) | CTSBCTSSCTSKCA1CA2 | |
| Hydrochloric Acid SCHEMBL3871923 | 0.76 | CA1 (0.37) | CTSBCTSSCTSKCA1CA2 | |
| Bromide SCHEMBL1199909 | 0.76 | CA1 (0.37) | CTSBCTSSCTSKCA1CA2 | |
| Hydrochloric Acid SCHEMBL3871931 | 0.76 | CA1 (0.37) | CTSBCTSSCTSKCA1CA2 | |
| SCHEMBL14678655 | 0.76 | CA1 (0.41) | CTSBCTSSCTSKCA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009123623-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2009-10-08 | — | — | WO | disclosed |