Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 3/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.34 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.34 |
| ▸ | PTPRB | P23467 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7348321 | 0.84 | ALDH1A1 (0.40) | ALDH1A1KDM4ETDP1CYP3A4CYP2C9 | |
| SCHEMBL7353139 | 0.80 | THRB (0.40) | ALDH1A1KDM4ETDP1THRBTHRA | |
| SCHEMBL7344148 | 0.78 | KMT2A (0.40) | ALDH1A1KDM4ETDP1THRBTHRA | |
| SCHEMBL7348710 | 0.77 | ALDH1A1 (0.41) | ALDH1A1KDM4ETDP1LDHACYP3A4 | |
| SCHEMBL7344141 | 0.77 | ALDH1A1 (0.46) | ALDH1A1KDM4ETDP1THRBTHRA | |
| SCHEMBL7344143 | 0.76 | ALDH1A1 (0.33) | ALDH1A1KDM4ETDP1CYP3A4CYP2C9 | |
| SCHEMBL5351651 | 0.70 | THRB (0.53) | THRBTHRARORC | |
| SCHEMBL7351406 | 0.68 | HDAC1 (0.39) | ALDH1A1KDM4ETDP1HDAC1HDAC6 | |
| SCHEMBL11492029 | 0.67 | GSR (0.46) | ALDH1A1CYP3A4CYP2C9PPARGPPARD | |
| SCHEMBL282378 | 0.66 | AR (0.45) | ALDH1A1THRBRORCMEN1KMT2A |
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-5284971-A | No cardiac side effects | SYNTEX (U.S.A.) INC. (US) | 1994-02-08 | — | — | US | disclosed |