Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | BMP1 | P13497 | 1/20 | 0.32 |
| ▸ | FPR3 | P25089 | 1/20 | 0.32 |
| ▸ | FPR2 | P25090 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | EDNRA | P25101 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6050996 | 0.80 | MEN1 (0.39) | ALDH1A1EDNRA | |
| SCHEMBL6050991 | 0.75 | SMN1; SMN2 (0.41) | RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL4983531 | 0.70 | EPHX2 (0.34) | EPHX2SMN1; SMN2BMP1LMNAALDH1A1 | |
| SCHEMBL6050958 | 0.70 | ATM (0.39) | CYP2D6CYP2C19SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL2844130 | 0.68 | EPHX2 (0.43) | EPHX2NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL2755867 | 0.67 | EPHX2 (0.58) | EPHX2NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL6050977 | 0.66 | ALDH1A1 (0.33) | LMNAALDH1A1 | |
| SCHEMBL16133691 | 0.65 | EPHX2 (0.53) | EPHX2NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL6568083 | 0.65 | ALDH1A1 (0.54) | CYP1A2CYP2D6CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL23576399 | 0.64 | EPHX2 (0.56) | EPHX2NPC1RAB9ACYP1A2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1505945-A4 | SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2006-11-22 | — | — | EP | disclosed |
| EP-1505945-A2 | SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Pharma Company (US) | 2005-02-16 | — | — | EP | disclosed |
| WO-2004043339-A2 | SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-27 | — | — | WO | disclosed |