Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.59 |
| ▸ | METAP2 | P50579 | 1/20 | 0.50 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.46 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.46 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29941064 | 1.00 | BCAT2 (0.59) | BCAT2METAP2GRM2KDM4EALDH1A1 | |
| SCHEMBL30514077 | 0.87 | BCAT2 (0.74) | BCAT2METAP2KDM4EALDH1A1MAPT | |
| SCHEMBL210767 | 0.87 | BCAT2 (0.74) | BCAT2METAP2KDM4EALDH1A1MAPT | |
| SCHEMBL15952999 | 0.86 | BCAT2 (0.53) | BCAT2METAP2GRM2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL16463881 | 0.84 | BCAT2 (0.71) | BCAT2METAP2KDM4EALDH1A1MAPT | |
| SCHEMBL1110181 | 0.84 | BCAT2 (0.71) | BCAT2METAP2KDM4EALDH1A1MAPT | |
| SCHEMBL31012518 | 0.84 | BCAT2 (0.71) | BCAT2METAP2KDM4EALDH1A1MAPT | |
| SCHEMBL27704996 | 0.84 | KEAP1 (0.58) | BCAT2METAP2GRM2KDM4EALDH1A1 | |
| SCHEMBL28368379 | 0.83 | KMT2A (0.47) | GRM2ALDH1A1MAPTTSHRRAB9A | |
| SCHEMBL1898663 | 0.82 | KEAP1 (0.56) | BCAT2METAP2KDM4EALDH1A1MAPT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103553859-B | A kind of method being prepared aminated compounds intermediate by acid amides | DU YEHONG (CN) | 2015-09-16 | — | — | CN | disclosed |
| CN-103553859-A | Method for preparing amine compound midbody by utilizing amide | ZHU YEHONG | 2014-02-05 | — | — | CN | disclosed |
| WO-2011056985-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2011-05-12 | — | — | WO | disclosed |
| WO-2003076930-A1 | METHOD FOR CHARACTERIZING METABOLITES USING HYDROGEN/DEUTERIUM EXCHANGE | WARNER-LAMBERT COMPANY LLC (US) | 2003-09-18 | — | — | WO | disclosed |
| US-20030175979-A1 | System and method for characterizing metabolites using hydrogen/deuterium exchange | LAM WING WAH (US) | 2003-09-18 | — | — | US | disclosed |
| EP-1345028-A1 | Method for charcterizing metabolites using hydrogen/deuterium exchange | Warner-Lambert Company LLC (US) | 2003-09-17 | — | — | EP | disclosed |