Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 9/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14230206 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CA2MAPK1CA1CES2 | |
| SCHEMBL14229432 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CA2MAPK1CA1CES2 | |
| SCHEMBL14229262 | 0.94 | CA2 (0.37) | ALDH1A1CA2MAPK1CA1CYP3A4 | |
| SCHEMBL14229291 | 0.94 | CA2 (0.37) | ALDH1A1CA2MAPK1CA1CYP3A4 | |
| SCHEMBL14229967 | 0.92 | CES2 (0.38) | ALDH1A1CES2CES1CYP3A4TSHR | |
| SCHEMBL10354641 | 0.90 | FFAR4 (0.43) | ALDH1A1CES2CES1TSHRTDP1 | |
| SCHEMBL14230179 | 0.89 | ALDH1A1 (0.34) | ALDH1A1CA2MAPK1CA1CES2 | |
| SCHEMBL10354678 | 0.89 | FFAR4 (0.46) | ALDH1A1CES2CES1TSHRTDP1 | |
| SCHEMBL14229910 | 0.88 | CA2 (0.35) | ALDH1A1CA2MAPK1CA1CYP3A4 | |
| SCHEMBL14229908 | 0.86 | CA1 (0.37) | CA2CA1FFAR4FFAR1 |
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 |