Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL374209 | 0.93 | GABRA1 (0.56) | GABRA1GABRB2CYP3A4TRPA1KMT2A | |
| SCHEMBL28953537 | 0.88 | CYP3A4 (0.57) | GABRA1GABRB2CYP3A4TRPA1KMT2A | |
| SCHEMBL1669008 | 0.88 | CYP3A4 (0.57) | GABRA1GABRB2CYP3A4TRPA1KMT2A | |
| SCHEMBL1133364 | 0.83 | GABRA1 (0.50) | GABRA1GABRB2CYP3A4TRPA1KMT2A | |
| SCHEMBL20145 | 0.81 | CYP3A4 (0.63) | GABRA1GABRB2CYP3A4TRPA1KMT2A | |
| SCHEMBL30520271 | 0.81 | CYP3A4 (0.63) | GABRA1GABRB2CYP3A4TRPA1KMT2A | |
| SCHEMBL21879755 | 0.79 | ATM (0.40) | GABRA1GABRB2CYP3A4TRPA1KMT2A | |
| SCHEMBL10614896 | 0.79 | GABRA1 (0.47) | GABRA1GABRB2CYP3A4TRPA1KMT2A | |
| SCHEMBL6901482 | 0.79 | GABRA1 (0.47) | GABRA1GABRB2CYP3A4TRPA1KMT2A | |
| SCHEMBL160980 | 0.79 | GABRA1 (0.52) | GABRA1GABRB2CYP3A4TRPA1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-107383854-B | A kind of preparation method of the micro- air bag elastomeric material of thermoplastic polyurethane | 南通德亿新材料有限公司 | 2018-04-13 | — | — | CN | claimed |
| CN-108541265-A | The method of oxide protective layer on sealing metal base material | 汉高股份有限及两合公司 | 2018-09-14 | — | — | CN | disclosed |