Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PAM | P19021 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PLIN1 | O60240 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9281647 | 0.95 | CYP1A2 (0.51) | CYP1A2CYP3A4PAMGRIK1HDAC3 | |
| SCHEMBL29833258 | 0.86 | CYP1A2 (0.46) | CYP1A2CYP3A4PAMGRIK1HDAC3 | |
| SCHEMBL10454933 | 0.82 | CYP3A4 (0.49) | CYP1A2CYP3A4PAMHDAC3HDAC4 | |
| SCHEMBL29829688 | 0.82 | CYP1A2 (0.45) | CYP1A2CYP3A4PAMGRIK1HDAC3 | |
| Butadiene SCHEMBL14976845 | 0.82 | CYP1A2 (0.45) | CYP1A2CYP3A4HDAC3HDAC4HDAC1 | |
| SCHEMBL30553878 | 0.82 | CYP1A2 (0.49) | CYP1A2CYP3A4PAMGRIK1HDAC3 | |
| Acrylic Acid Ethyl Ester SCHEMBL11309984 | 0.81 | RAB9A (0.41) | CYP1A2LMNAALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL2636177 | 0.80 | CYP1A2 (0.62) | CYP1A2PAMGRIK1HDAC3HDAC4 | |
| Butadiene SCHEMBL675872 | 0.78 | CYP3A4 (0.42) | CYP1A2CYP3A4PAMGRIK1HDAC3 | |
| SCHEMBL4250754 | 0.78 | CYP1A2 (0.50) | CYP1A2CYP3A4PAMHDAC3HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4138389-A | VULCANIZABLE BLAND OF ADDITION POLYMERS | POLYSAR LIMITED (CA) | 1979-02-06 | — | — | US | disclosed |