Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 8/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 7/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL28078142 | 0.83 | CNR1 (0.51) | CNR1MEN1POLBKMT2AMTNR1B | |
| SCHEMBL38660132 | 0.82 | MTNR1B (0.57) | MEN1POLBKMT2AMTNR1BMTNR1A | |
| SCHEMBL42399 | 0.82 | MTNR1B (0.57) | MEN1POLBKMT2AMTNR1BMTNR1A | |
| SCHEMBL28471149 | 0.81 | MTNR1B (0.55) | MEN1POLBKMT2AMTNR1BMTNR1A | |
| SCHEMBL7745902 | 0.80 | MTNR1B (0.52) | CNR1MEN1POLBKMT2AMTNR1B | |
| SCHEMBL27864024 | 0.75 | MTNR1B (0.54) | MTNR1BMTNR1AAOC3TP53SMN1; SMN2 | |
| SCHEMBL16872445 | 0.75 | CYP3A4 (0.42) | CNR1CYP1A1CYP1A2CYP2E1CYP3A4 | |
| Mandelic Acid SCHEMBL2054214 | 0.74 | CASR (0.52) | MEN1POLBKMT2AMTNR1BMTNR1A | |
| 1-Hydroxy-3-Methoxybenzene SCHEMBL9774366 | 0.73 | MEN1 (0.50) | MEN1POLBKMT2AMTNR1BMTNR1A | |
| SCHEMBL8644515 | 0.73 | MTNR1B (0.68) | CNR1MEN1POLBKMT2AMTNR1B |
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-105764904-A | Aza-pyridone compounds and uses thereof | 艾丽奥斯生物制药有限公司 | 2016-07-13 | — | — | CN | disclosed |