Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL6154560 | 0.86 | RECQL (0.33) | ALDH1A1ALOX15TSHRCA1CA2 | |
| SCHEMBL6233361 | 0.84 | TSHR (0.35) | GAAALDH1A1TSHRTDP1RECQL | |
| SCHEMBL6155426 | 0.83 | MAPT (0.40) | ALDH1A1ALOX15TSHRKMT2ARECQL | |
| SCHEMBL29191597 | 0.82 | GAA (0.43) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL6155702 | 0.81 | TSHR (0.34) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL6155439 | 0.78 | CA12 (0.33) | CA12CA1CA2CA9 | |
| SCHEMBL1258369 | 0.78 | GAA (0.55) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL6154085 | 0.77 | CYP2D6 (0.40) | CA12CA2CYP2D6 | |
| SCHEMBL3679589 | 0.77 | MGAM (0.44) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL3677733 | 0.77 | MGAM (0.44) | GAAMGAMSIMGAM2ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005005375-A1 | METHOD FOR PRODUCING 4-CYANO-3-HYDROXYBUTYRIC ACID ESTERS | LANXESS DEUTSCHLAND GMBH (DE) | 2005-01-20 | — | — | WO | claimed |
| CN-104271549-B | It is a kind of new to prepare vitamin B6Midbody compound | 帝斯曼知识产权资产管理有限公司 | 2017-07-04 | — | — | CN | disclosed |
| EP-0970947-B1 | PROCESS FOR PRODUCING BUTYRIC ESTER DERIVATIVES | KANEKA CORP (JP) | 2005-01-26 | — | — | EP | disclosed |
| US-6140527-A | Process for producing butyric ester derivatives | KANEKA CORPORATION (JP) | 2000-10-31 | — | — | US | disclosed |
| EP-0970947-A1 | PROCESS FOR PRODUCING BUTYRIC ESTER DERIVATIVES | KANEKA CORPORATION (JP) | 2000-01-12 | — | — | EP | disclosed |