Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.59 |
| ▸ | CES1 | P23141 | 2/20 | 0.59 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.41 |
| ▸ | CHRNG | P07510 | 1/20 | 0.41 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | CHRND | Q07001 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | PLA2G7 | Q13093 | 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 | |
|---|---|---|---|---|
| SCHEMBL12877455 | 0.84 | CES2 (0.41) | CES2CES1KMT2ARAB9ANPC1 | |
| SCHEMBL12021922 | 0.84 | CES2 (0.41) | CES2CES1MAOAMAOBKMT2A | |
| SCHEMBL14684053 | 0.82 | HDAC1 (0.56) | CES2CES1KMT2AKCNQ3KCNQ2 | |
| SCHEMBL5253742 | 0.81 | CES2 (0.61) | CES2CES1MAOAMAOBKMT2A | |
| SCHEMBL2273688 | 0.81 | CES2 (0.61) | CES2CES1MAOAMAOBKMT2A | |
| SCHEMBL30255233 | 0.81 | CES2 (0.61) | CES2CES1MAOAMAOBKMT2A | |
| SCHEMBL671907 | 0.81 | CES2 (0.61) | CES2CES1MAOAMAOBKMT2A | |
| SCHEMBL10066834 | 0.80 | AR (0.40) | CES2CES1KMT2ARAB9ANPC1 | |
| SCHEMBL633278 | 0.79 | CES2 (0.59) | CES2CES1KMT2AMEN1CHRNA1 | |
| SCHEMBL247898 | 0.79 | CES2 (0.59) | CES2CES1KMT2ARAB9ANPC1 |
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-2009129109-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-10-22 | — | — | WO | disclosed |