Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 2/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 6/20 | 0.43 |
| ▸ | CTSK | P43235 | 5/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21169918 | 0.92 | CTSS (0.52) | PIN1CHRM3CHRM2CTSSCTSK | |
| SCHEMBL7983717 | 0.82 | CTSS (0.55) | CHRM3CHRM2CTSSCTSKSCN9A | |
| SCHEMBL7983723 | 0.82 | CTSS (0.55) | CHRM3CHRM2CTSSCTSKSCN9A | |
| SCHEMBL3054407 | 0.79 | SCN9A (0.64) | CTSSCTSKSCN9AKDM4ECTSL | |
| SCHEMBL18930225 | 0.76 | DPP4 (0.52) | PIN1CHRM3CHRM2SSTR4DRD2 | |
| Hydrochloric Acid SCHEMBL21144960 | 0.75 | DPP4 (0.51) | PIN1CHRM3CHRM2SSTR4DRD2 | |
| Hydrochloric Acid SCHEMBL21144961 | 0.75 | DPP4 (0.51) | PIN1CHRM3CHRM2SSTR4DRD2 | |
| SCHEMBL22338765 | 0.74 | P2RX7 (0.57) | CTSSCTSKCTSLCTSB | |
| SCHEMBL22303692 | 0.74 | P2RX7 (0.57) | CTSSCTSKCTSLCTSB | |
| SCHEMBL21144825 | 0.73 | CTSL (0.55) | CTSSCTSKSCN9ACTSLCTSB |
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-3383865-B1 | FURANE DERIVATIVES AS INHIBITORS OF ATAD2 | Bayer Pharma AG (DE) | 2020-01-29 | — | — | EP | disclosed |