Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | SCN4A | P35499 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | TAS2R10 | Q9NYW0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL5117868 | 0.98 | ALDH1A1 (0.41) | ALDH1A1KDM4ETDP1MAPTDNM1 | |
| SCHEMBL564456 | 0.83 | ALDH1A1 (0.50) | ALDH1A1KDM4ETDP1DNM1MEN1 | |
| Hydrochloric Acid SCHEMBL31362231 | 0.82 | ALDH1A1 (0.54) | ALDH1A1KDM4ETDP1DNM1MEN1 | |
| SCHEMBL4649848 | 0.78 | ALDH1A1 (0.48) | ALDH1A1KDM4ETDP1DNM1MEN1 | |
| Bromide SCHEMBL5127809 | 0.77 | ALDH1A1 (0.47) | ALDH1A1KDM4ETDP1DNM1MEN1 | |
| SCHEMBL28423034 | 0.73 | KDM4E (0.47) | ALDH1A1KDM4ETDP1DNM1MEN1 | |
| Trifluoromethanesulfonic Acid SCHEMBL565377 | 0.72 | GPR3 (0.36) | ALDH1A1KDM4ETDP1 | |
| SCHEMBL28256353 | 0.71 | ALDH1A1 (0.48) | ALDH1A1KDM4ETDP1DNM1MEN1 | |
| SCHEMBL4649328 | 0.70 | GABRA1 (0.36) | ALDH1A1KDM4ETDP1MAPTMAPK1 | |
| Bromide SCHEMBL11060577 | 0.69 | ALDH1A1 (0.47) | ALDH1A1KDM4ETDP1DNM1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1966138-A2 | SUBSTITUTED TRICYCLIC PIPERIDONE DERIVATIVES | Grünenthal GmbH (DE) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007079929-A2 | SUBSTITUTED TRICYCLIC PIPERIDONE DERIVATIVES | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |