Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14229254 | 0.92 | ALDH1A1 (0.35) | ALDH1A1HPGDTP53HDAC1HDAC2 | |
| SCHEMBL14229580 | 0.89 | EPHX2 (0.36) | ALDH1A1TP53 | |
| SCHEMBL24772525 | 0.86 | HDAC1 (0.32) | ALDH1A1TP53HDAC1HDAC2CHRM1 | |
| SCHEMBL14229425 | 0.85 | ALDH1A1 (0.35) | ALDH1A1HPGDTP53TDP1CES2 | |
| SCHEMBL14229901 | 0.81 | EPHX2 (0.38) | ALDH1A1TP53CES2CES1 | |
| SCHEMBL14201052 | 0.80 | CA1 (0.30) | — | |
| SCHEMBL27372419 | 0.80 | ALDH1A1 (0.42) | ALDH1A1TP53CES2CES1NFKB1 | |
| SCHEMBL14818662 | 0.80 | CHRM1 (0.33) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL14229245 | 0.78 | CA12 (0.41) | ALDH1A1TP53CES2CES1 | |
| SCHEMBL14229461 | 0.78 | EPHX2 (0.46) | ALDH1A1TDP1CES2CES1TSHR |
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 |