Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| Ethyl Chloride SCHEMBL10996079 | 0.87 | LMNA (0.41) | ALDH1A1TP53LMNACYP3A4TSHR | |
| SCHEMBL10997433 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TP53LMNACYP3A4TSHR | |
| SCHEMBL7431237 | 0.83 | ALDH1A1 (0.37) | ALDH1A1TP53CYP3A4TSHRMAPT | |
| SCHEMBL2093826 | 0.82 | ALDH1A1 (0.43) | ALDH1A1TP53LMNACYP3A4TSHR | |
| O-Xylene SCHEMBL28713896 | 0.76 | TSHR (0.55) | ALDH1A1TP53LMNATSHRMAPT | |
| Ethyl Chloride SCHEMBL10997733 | 0.75 | ALDH1A1 (0.50) | ALDH1A1TP53LMNACYP3A4TSHR | |
| SCHEMBL19980344 | 0.74 | NPY2R (0.40) | CYP3A4THRB | |
| SCHEMBL7279395 | 0.73 | ALDH1A1 (0.39) | ALDH1A1TP53CYP3A4TSHRMAPT | |
| SCHEMBL6934541 | 0.73 | LMNA (0.49) | ALDH1A1LMNACYP3A4TSHRMAPT | |
| O-Xylene SCHEMBL3792592 | 0.73 | TSHR (0.56) | ALDH1A1TP53LMNATSHRMAPT |
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 |