Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL21056505 | 0.82 | TAAR1 (0.38) | TAAR1HRH3CYP19A1 | |
| SCHEMBL21056496 | 0.81 | TAAR1 (0.38) | TAAR1 | |
| SCHEMBL15823752 | 0.80 | TAAR1 (0.50) | TAAR1 | |
| SCHEMBL3128078 | 0.80 | TAAR1 (0.50) | TAAR1 | |
| SCHEMBL21056498 | 0.76 | TAAR1 (0.40) | TAAR1 | |
| SCHEMBL19555052 | 0.74 | CYP1A2 (0.40) | CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL845625 | 0.73 | CYP1A2 (0.48) | CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31454831 | 0.73 | CYP1A2 (0.48) | CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3619604 | 0.73 | TAAR1 (0.68) | TAAR1 | |
| SCHEMBL3616582 | 0.73 | TAAR1 (0.68) | TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109071518-A | Oxazoline vacation dimer, medical composition and its use | 普渡制药公司 | 2018-12-21 | — | — | CN | disclosed |