Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.50 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 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 | |
|---|---|---|---|---|
| SCHEMBL4992713 | 0.90 | HDAC1 (0.55) | HDAC1HDAC2CHRM1CHRM3ADRA1A | |
| SCHEMBL11465778 | 0.86 | CA2 (0.61) | TSHRCA2MAPK1CA1USP2 | |
| SCHEMBL11457543 | 0.84 | — | — | |
| SCHEMBL7598232 | 0.82 | CHRM1 (0.52) | HDAC1HDAC2CHRM1CHRM3ADRA1A | |
| SCHEMBL23175836 | 0.81 | CA2 (0.50) | HDAC1HDAC2CHRM1CHRM3ADRA1A | |
| SCHEMBL19679638 | 0.80 | HDAC7 (0.50) | HDAC1HDAC2CHRM1CHRM3ADRA1A | |
| SCHEMBL20838325 | 0.80 | HDAC1 (0.50) | HDAC1HDAC2CHRM1CHRM3ADRA1A | |
| SCHEMBL9987438 | 0.80 | HDAC1 (0.50) | HDAC1HDAC2CHRM1CHRM3ADRA1A | |
| SCHEMBL30601096 | 0.78 | CHRM1 (0.48) | HDAC1HDAC2CHRM1CHRM3ADRA1A | |
| SCHEMBL1410417 | 0.77 | — | — |
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-4240983-A | HALOGENATION | BAYER AKTIENGESELLSCHAFT (DE) | 1980-12-23 | — | — | US | disclosed |