Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 4/20 | 0.47 |
| ▸ | CTSK | P43235 | 4/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1032552 | 0.83 | CTSS (0.47) | CTSSCTSKKCNH2TRPV3KDM1A | |
| SCHEMBL1034161 | 0.83 | CTSS (0.47) | CTSSCTSKKCNH2TRPV3KDM1A | |
| SCHEMBL1034243 | 0.82 | SCN9A (0.47) | CTSSTRPV3KDM1AALDH1A1 | |
| SCHEMBL1034606 | 0.81 | KDM1A (0.48) | CTSSKDM1ACNR2 | |
| SCHEMBL13854087 | 0.81 | CTSS (0.58) | CTSSCTSKKDM1ACNR2KMO | |
| SCHEMBL1035339 | 0.80 | KIF11 (0.47) | TRPV3KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1033262 | 0.79 | SCN9A (0.48) | CTSSCTSKTRPV3KMOKDM4E | |
| SCHEMBL1032856 | 0.76 | KDM1A (0.50) | CTSSKDM1AKMOPIK3CDPIK3CA | |
| SCHEMBL28108403 | 0.75 | NPSR1 (0.48) | CTSSKDM1AKMOKDM4EALDH1A1 | |
| SCHEMBL27845626 | 0.73 | CTSS (0.47) | CTSSCTSKKDM1ACNR2CNR1 |
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-2009134973-A1 | QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2009-11-05 | — | — | WO | disclosed |