Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | PRKCD | Q05655 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28923894 | 0.98 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2APRKCDL3MBTL1 | |
| SCHEMBL23010557 | 0.98 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2APRKCDL3MBTL1 | |
| Naphthalene SCHEMBL7006954 | 0.95 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2APRKCDL3MBTL1 | |
| SCHEMBL28923868 | 0.95 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2APRKCDL3MBTL1 | |
| Naphthalene SCHEMBL2230173 | 0.94 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2APRKCDL3MBTL1 | |
| Naphthalene SCHEMBL7009617 | 0.94 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2APRKCDL3MBTL1 | |
| Naphthalene SCHEMBL7011468 | 0.90 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2APRKCDL3MBTL1 | |
| SCHEMBL550098 | 0.88 | CREBBP (0.44) | PRKCDBRD4CREBBPGAAMAPT | |
| Naphthalene SCHEMBL9079542 | 0.84 | PRKCD (0.38) | ALDH1A1MEN1KMT2APRKCDL3MBTL1 | |
| SCHEMBL4128722 | 0.84 | MTNR1A (0.53) | ALDH1A1MEN1KMT2APRKCDL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2961751-B1 | 1,6- DIAZABICYCLO [3,2,1]OCTAN- 7- ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS | WOCKHARDT LTD (IN) | 2018-03-21 | — | — | EP | disclosed |