Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HTR3A | P46098 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 2/20 | 0.46 |
| ▸ | NOS1 | P29475 | 2/20 | 0.46 |
| ▸ | NOS2 | P35228 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8274182 | 0.83 | NPC1 (0.47) | ALDH1A1KDM4EL3MBTL1KMT2ANOS3 | |
| SCHEMBL8887514 | 0.81 | CA2 (0.48) | TAAR1ALDH1A1KDM4EBACE1L3MBTL1 | |
| SCHEMBL7815094 | 0.81 | MAOB (0.50) | TAAR1ALDH1A1KDM4EHTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL8173515 | 0.79 | MAOB (0.48) | TAAR1ALDH1A1KDM4EHTR1AADRA2A | |
| SCHEMBL5871707 | 0.79 | RAB9A (0.45) | TAAR1ALDH1A1KDM4EL3MBTL1KMT2A | |
| SCHEMBL4021653 | 0.79 | RAB9A (0.45) | TAAR1ALDH1A1KDM4EL3MBTL1KMT2A | |
| SCHEMBL11971337 | 0.79 | KMT2A (0.55) | ALDH1A1KDM4EKMT2ABLMSMN1; SMN2 | |
| SCHEMBL5871705 | 0.79 | RAB9A (0.45) | TAAR1ALDH1A1KDM4EL3MBTL1KMT2A | |
| SCHEMBL11971339 | 0.79 | KMT2A (0.55) | ALDH1A1KDM4EKMT2ABLMSMN1; SMN2 | |
| SCHEMBL4021648 | 0.79 | RAB9A (0.45) | TAAR1ALDH1A1KDM4EL3MBTL1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997009316-A1 | 4-[2-(PYRIMIDIN-4-OXY- OR 4-YLAMINO)-ETHYL]-PHENYL-OXIMES | NOVARTIS AG (CH) | 1997-03-13 | — | — | WO | disclosed |