Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11000010 | 0.89 | POLB (0.52) | ALDH1A1TSHRLMNANPSR1KMT2A | |
| SCHEMBL10993684 | 0.89 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7446165 | 0.88 | TSHR (0.43) | ALDH1A1TSHRCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10995451 | 0.85 | MAPT (0.47) | ALDH1A1TSHRCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10997577 | 0.84 | LMNA (0.44) | ALDH1A1TSHRLMNAUSP2KMT2A | |
| SCHEMBL10991244 | 0.84 | POLB (0.54) | ALDH1A1TSHRCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10990432 | 0.83 | CYP3A4 (0.45) | ALDH1A1TSHRCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10994260 | 0.82 | POLB (0.50) | ALDH1A1TSHRLMNANPSR1KMT2A | |
| SCHEMBL10996565 | 0.82 | TSHR (0.46) | ALDH1A1TSHRCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10995442 | 0.81 | KMT2A (0.44) | ALDH1A1TSHRLMNAKMT2AMEN1 |
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-4558129-A | Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade | SYNTEX (U.S.A.) INC. (US) | 1985-12-10 | — | — | US | disclosed |