Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.52 |
| ▸ | CPA3 | P15088 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CPA1 | P15085 | 2/20 | 0.47 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.47 |
| ▸ | CPB1 | P15086 | 1/20 | 0.47 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MME | P08473 | 2/20 | 0.44 |
| ▸ | LTA4H | P09960 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5710051 | 0.91 | CYP1A2 (0.59) | CYP1A2HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL28588603 | 0.87 | CSNK1E (0.52) | FOLH1 | |
| SCHEMBL17087653 | 0.85 | CYP1A2 (0.52) | CYP1A2CPA3POLBCPA1FOLH1 | |
| SCHEMBL6657008 | 0.84 | CYP1A2 (0.70) | CYP1A2HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL4550704 | 0.84 | CYP1A2 (0.70) | CYP1A2HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL14520756 | 0.82 | HDAC3 (0.59) | CYP1A2HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL3662060 | 0.81 | CYP1A2 (0.55) | CYP1A2HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL18623970 | 0.81 | CYP1A2 (0.55) | CYP1A2CPA3CPA1FOLH1CPB1 | |
| SCHEMBL12494702 | 0.81 | CYP1A2 (0.66) | CYP1A2HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL2846532 | 0.81 | CYP1A2 (0.55) | CYP1A2HDAC3HDAC4HDAC1HDAC2 |
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-111148739-A | Cyclopeptide antibiotics | 豪夫迈·罗氏有限公司 | 2020-05-12 | — | — | CN | disclosed |