Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 6/20 | 0.47 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | CTSB | P07858 | 2/20 | 0.44 |
| ▸ | CTSS | P25774 | 2/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.42 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6182261 | 1.00 | ENPP2 (0.47) | ENPP2CTSLCTSBCTSSITGB3 | |
| SCHEMBL6182194 | 0.87 | MAPT (0.55) | CTSLCTSBCTSSHTTSMN1; SMN2 | |
| SCHEMBL7044811 | 0.86 | CTSL (0.45) | CTSLCTSBCTSSITGB3ITGA2B | |
| SCHEMBL6182853 | 0.83 | CTSB (0.51) | ENPP2CTSLCTSBCTSSITGB3 | |
| SCHEMBL6183524 | 0.82 | ENPP2 (0.41) | ENPP2CTSLCTSBCTSSITGB3 | |
| SCHEMBL6183363 | 0.80 | ENPP2 (0.46) | ENPP2CTSLCTSBCTSSITGB3 | |
| SCHEMBL6182697 | 0.79 | CTSB (0.65) | CTSLCTSBCTSS | |
| SCHEMBL6183157 | 0.79 | KDM4E (0.60) | CTSLCTSBCTSSALDH1A1KDM4E | |
| SCHEMBL7452860 | 0.79 | KDM4E (0.60) | CTSLCTSBCTSSALDH1A1KDM4E | |
| SCHEMBL6183083 | 0.78 | CTSS (0.49) | CTSLCTSBCTSSHTTSMN1; SMN2 |
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-2001068645-A2 | N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-09-20 | — | — | WO | disclosed |