Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.47 |
| ▸ | WNT3A | P56704 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 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 | |
|---|---|---|---|---|
| SCHEMBL26619319 | 0.85 | CYP2A6 (0.54) | CYP2A6CYP1A2CTNNB1WNT3ASIGMAR1 | |
| SCHEMBL3815862 | 0.83 | CYP2A6 (0.56) | CYP2A6CTNNB1WNT3ASIGMAR1OPRM1 | |
| SCHEMBL3815589 | 0.81 | SIGMAR1 (0.52) | CYP2A6KDM4ENPC1LMNATP53 | |
| SCHEMBL3789042 | 0.78 | CYP2A6 (0.61) | CYP2A6SLC6A2SLC6A3CTNNB1WNT3A | |
| SCHEMBL48139 | 0.78 | CYP2A6 (0.61) | CYP2A6KDM4EMAPTCTNNB1WNT3A | |
| SCHEMBL6398236 | 0.76 | CYP2A6 (0.51) | CYP2A6MAPTSLC6A2SLC6A3CTNNB1 | |
| SCHEMBL632461 | 0.76 | SIGMAR1 (0.53) | CYP2A6KDM4ENPC1LMNATP53 | |
| SCHEMBL20563595 | 0.75 | CYP2A6 (0.50) | CYP2A6KDM4ENPC1LMNATP53 | |
| SCHEMBL47994 | 0.75 | SIGMAR1 (0.55) | CYP2A6CYP1A2CTNNB1WNT3ASIGMAR1 | |
| SCHEMBL3793629 | 0.75 | CYP2A6 (0.58) | CYP2A6NPC1RAB9ASIGMAR1PDE10A |
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-2750504-A1 | ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE | PTC Therapeutics, Inc. (US) | 2014-07-09 | — | — | EP | disclosed |
| WO-2013033258-A1 | ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE | PTC THERAPEUTICS, INC. (US) | 2013-03-07 | — | — | WO | disclosed |
| EP-0125059-A2 | Herbicidal cyclohexane-1,3-dione derivatives | ICI AUSTRALIA LIMITED (AU) | 1984-11-14 | — | — | EP | disclosed |