Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 2/20 | 0.39 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL28293017 | 0.87 | ALDH1A1 (0.47) | ALDH1A1MCL1HDAC3HDAC4HDAC1 | |
| Benzene SCHEMBL28149443 | 0.79 | HDAC3 (0.43) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| Quinoline SCHEMBL28144363 | 0.79 | ALDH1A1 (0.55) | ALDH1A1MCL1HDAC8PABPC1NPC1 | |
| Quinoline SCHEMBL28318728 | 0.76 | ALDH1A1 (0.55) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL28140139 | 0.76 | ALDH1A1 (0.55) | ALDH1A1NPC1POLBRAB9ACYP3A4 | |
| Quinoline SCHEMBL372690 | 0.76 | ALDH1A1 (0.77) | ALDH1A1MCL1MGAMPABPC1NPC1 | |
| Quinoline SCHEMBL5874493 | 0.76 | ALDH1A1 (0.77) | ALDH1A1MCL1MGAMPABPC1NPC1 | |
| Quinoline SCHEMBL5283313 | 0.76 | ALDH1A1 (0.77) | ALDH1A1MCL1MGAMPABPC1NPC1 | |
| SCHEMBL1030035 | 0.76 | — | — | |
| Quinoline SCHEMBL28213101 | 0.75 | ALDH1A1 (0.53) | ALDH1A1NPC1POLBRAB9ACYP3A4 |
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-109641886-A | bicyclic BET bromodomain inhibitors and uses thereof | 康威基内有限公司 | 2019-04-16 | — | — | CN | disclosed |