Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.33 |
| ▸ | CHRNG | P07510 | 1/20 | 0.33 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CHRND | Q07001 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7213677 | 0.86 | GRM2 (0.38) | ADAM17DAOGAACHRNA1CHRNG | |
| SCHEMBL7219252 | 0.85 | ELANE (0.39) | TP53MAPTKMT2A | |
| SCHEMBL29003533 | 0.65 | ADAM17 (0.38) | ADAM17DAOGAATP53MAPT | |
| SCHEMBL27373567 | 0.59 | IDO1 (0.38) | ADAM17GAARAB9AALDH1A1 | |
| SCHEMBL16127955 | 0.59 | IDO1 (0.38) | ALDH1A1HPGD | |
| SCHEMBL9193771 | 0.58 | GLA (0.69) | GAARAB9ATP53MAPTALDH1A1 | |
| SCHEMBL576019 | 0.57 | GAA (0.35) | GAACHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL6113138 | 0.57 | TSHR (0.30) | — | |
| SCHEMBL11194459 | 0.56 | SMN1; SMN2 (0.44) | ADAM17RAB9ATP53ALDH1A1HPGD | |
| SCHEMBL5497395 | 0.56 | IDO1 (0.55) | TP53ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6504046-B1 | Cyclization of nitriles using acids, to form oxazolinone chemical intermediates such as 2-phenyl-4-isopropyl-4-methyl-1,3-oxazol-5-one, used as fungicides | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2003-01-07 | — | — | US | disclosed |
| EP-1092705-A1 | PROCESS FOR THE PREPARATION OF AMIDES | IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) | 2001-04-18 | — | — | EP | disclosed |