Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.46 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.46 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.46 |
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 SCHEMBL28077970 | 0.83 | CNR1 (0.48) | CNR1MEN1KMT2APOLBHDAC4 | |
| SCHEMBL361514 | 0.80 | KMT2A (0.63) | MEN1KMT2APOLBCYP3A4MTNR1B | |
| SCHEMBL30543838 | 0.80 | KMT2A (0.63) | MEN1KMT2APOLBCYP3A4MTNR1B | |
| SCHEMBL23576833 | 0.80 | ABL1 (0.59) | MEN1KMT2APOLBHDAC4HDAC8 | |
| SCHEMBL21255073 | 0.80 | ABL1 (0.55) | CNR1HDAC4HDAC8CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL27686057 | 0.79 | KMT2A (0.61) | MEN1KMT2APOLBMTNR1BMTNR1A | |
| SCHEMBL8646035 | 0.77 | MTNR1B (0.68) | CNR1MEN1KMT2APOLBMTNR1B | |
| SCHEMBL16571092 | 0.77 | AOC3 (0.48) | MEN1KMT2APOLBMTNR1BMAPT | |
| Isopropyl Alcohol SCHEMBL28077965 | 0.77 | ESR2 (0.46) | MEN1KMT2ACYP3A4MAPT | |
| SCHEMBL29489425 | 0.76 | CYP3A4 (0.73) | KMT2AHDAC4HDAC8CYP1A2CYP3A4 |
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 |