Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | NAAA | Q02083 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CTSV | O60911 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 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 | |
|---|---|---|---|---|
| SCHEMBL6182588 | 0.87 | DRD2 (0.47) | CTSLCTSSHDAC8 | |
| SCHEMBL6182799 | 0.85 | LMNA (0.45) | EPHX2TSHRRAB9ACYP2C19SMN1; SMN2 | |
| SCHEMBL7452326 | 0.85 | SMN1; SMN2 (0.42) | EPHX2RAB9ACYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL7044216 | 0.85 | NAMPT (0.61) | — | |
| SCHEMBL6183464 | 0.83 | NPC1 (0.48) | RAB9ACYP2C19SMN1; SMN2NPC1MAPT | |
| SCHEMBL6183646 | 0.83 | PARP1 (0.52) | TSHRSMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL7452250 | 0.83 | HDAC1 (0.49) | RAB9ASMN1; SMN2NPC1KMT2AALDH1A1 | |
| SCHEMBL7450457 | 0.83 | MCHR1 (0.43) | EPHX2RAB9ASMN1; SMN2NPC1MEN1 | |
| SCHEMBL6183207 | 0.83 | TDP1 (0.49) | L3MBTL1MAPTKMT2A | |
| SCHEMBL6183716 | 0.82 | MAPK14 (0.37) | EPHX2SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1161415-A2 | N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000055126-A2 | N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |