Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.58 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL31152354 | 0.87 | GABRA1 (0.78) | GABRA1GABRB2CYP3A4TRPA1MEN1 | |
| SCHEMBL1022432 | 0.87 | GABRA1 (0.78) | GABRA1GABRB2CYP3A4TRPA1MEN1 | |
| SCHEMBL1925963 | 0.87 | GABRA1 (0.60) | GABRA1GABRB2CYP3A4TRPA1MEN1 | |
| SCHEMBL28028234 | 0.84 | GABRA1 (0.56) | GABRA1GABRB2CYP3A4TRPA1MEN1 | |
| SCHEMBL8156690 | 0.82 | GABRA1 (0.59) | GABRA1GABRB2CYP3A4TRPA1MEN1 | |
| SCHEMBL374209 | 0.82 | GABRA1 (0.56) | GABRA1GABRB2CYP3A4TRPA1MAPT | |
| SCHEMBL28177499 | 0.81 | KMT2A (0.39) | GABRA1GABRB2CYP3A4MAPTMEN1 | |
| SCHEMBL10613412 | 0.80 | GABRA1 (0.56) | GABRA1GABRB2CYP3A4PTGS2 | |
| SCHEMBL10882070 | 0.79 | GABRA1 (0.60) | GABRA1GABRB2CYP3A4MEN1KMT2A | |
| SCHEMBL7723447 | 0.79 | GABRA1 (0.55) | GABRA1GABRB2CYP3A4TRPA1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999011129-A1 | ENANTIOMERICALLY ENRICHED COMPOSITIONS AND THEIR PESTICIDAL USE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-03-11 | — | — | WO | disclosed |