Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9419480 | 1.00 | CYP1A2 (0.42) | CYP1A2CYP2C19NOTUMALDH1A1NPC1 | |
| SCHEMBL8408150 | 0.86 | ALDH1A1 (0.40) | CYP1A2CYP2C19NOTUMALDH1A1KDM4E | |
| SCHEMBL28809262 | 0.82 | NOTUM (0.41) | NOTUMALDH1A1KDM4ETSHRGAA | |
| SCHEMBL28335561 | 0.81 | NOTUM (0.42) | CYP1A2CYP2C19NOTUMALDH1A1NPC1 | |
| SCHEMBL7659901 | 0.77 | ALDH1A1 (0.45) | ALDH1A1NPC1KDM4ENPSR1SMN1; SMN2 | |
| SCHEMBL7659907 | 0.77 | ALDH1A1 (0.45) | ALDH1A1NPC1KDM4ENPSR1SMN1; SMN2 | |
| SCHEMBL77023 | 0.75 | NOTUM (0.44) | NOTUMALDH1A1KDM4ETSHRGAA | |
| SCHEMBL77024 | 0.75 | NOTUM (0.44) | NOTUMALDH1A1KDM4ETSHRGAA | |
| SCHEMBL29172566 | 0.75 | NOTUM (0.48) | CYP1A2CYP2C19NOTUMALDH1A1NPC1 | |
| SCHEMBL7095410 | 0.73 | NOTUM (0.44) | CYP1A2CYP2C19NOTUMALDH1A1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5376290-A | For elastomers; heat and oxidation resistance, photostability | CIBA-GEIGY CORPORATION (US) | 1994-12-27 | — | — | US | disclosed |