Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | STS | P08842 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | 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 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12813462 | 0.80 | ALOX15 (0.44) | ALDH1A1TSHRGAAL3MBTL1 | |
| SCHEMBL12813501 | 0.77 | HTT (0.45) | CES2CES1ALDH1A1NPC1SMN1; SMN2 | |
| SCHEMBL12813534 | 0.74 | MEN1 (0.41) | NPC1RAB9ACHRNA1CHRNGCHRNB1 | |
| SCHEMBL8034537 | 0.73 | CYP1A2 (0.49) | ALDH1A1SLC6A2SMN1; SMN2TSHRKDM4E | |
| SCHEMBL31414638 | 0.73 | CES2 (0.77) | CES2CES1PARP1STSNPC1 | |
| SCHEMBL4823687 | 0.73 | CES2 (0.77) | CES2CES1PARP1STSNPC1 | |
| SCHEMBL12813449 | 0.72 | RARB (0.41) | CES2CES1ALDH1A1NPC1RAB9A | |
| SCHEMBL12813381 | 0.72 | RARB (0.41) | CES2CES1HPGD | |
| SCHEMBL16499394 | 0.72 | RARB (0.47) | ALDH1A1NPC1RAB9ASLC6A3GAA | |
| Hydrochloric Acid SCHEMBL27733557 | 0.72 | CES2 (0.74) | CES2CES1PARP1STSNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012134971-A2 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS, INC. (US) | 2012-10-04 | — | — | WO | disclosed |
| WO-2011155983-A1 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS INC. (US) | 2011-12-15 | — | — | WO | disclosed |