Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14229903 | 0.96 | HDAC1 (0.33) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL14229309 | 0.96 | HDAC1 (0.33) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL14229967 | 0.89 | CES2 (0.38) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL14229291 | 0.89 | CA2 (0.37) | TDP1TSHRCYP3A4NFKB1ALDH1A1 | |
| SCHEMBL14229262 | 0.89 | CA2 (0.37) | TDP1TSHRCYP3A4ALDH1A1 | |
| SCHEMBL14229466 | 0.86 | CHRNB2 (0.32) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL14228993 | 0.86 | CHRNB2 (0.32) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL14229290 | 0.82 | ALDH1A1 (0.39) | TDP1CES2CES1TSHRCYP3A4 | |
| SCHEMBL14230206 | 0.82 | ALDH1A1 (0.39) | TDP1CES2CES1TSHRCYP3A4 | |
| SCHEMBL14229432 | 0.82 | ALDH1A1 (0.39) | TDP1CES2CES1TSHRCYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7365093-B2 | Endothelin antagonists | ABBOTT LABORATORIES (US) | 2008-04-29 | — | — | US | disclosed |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |