Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 5/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 2/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL27966619 | 0.78 | KMT2A (0.47) | ALDH1A1GAATSHRNPBWR1KMT2A | |
| SCHEMBL195833 | 0.77 | KDM4E (0.39) | ALDH1A1TSHRNPSR1CYP2C19KDM4E | |
| SCHEMBL14653906 | 0.69 | ALDH1A1 (0.34) | ALDH1A1TSHRKMT2AKDM4ELMNA | |
| SCHEMBL4668886 | 0.66 | ALDH1A1 (0.53) | ALDH1A1TSHRKMT2ALMNACA2 | |
| SCHEMBL1650495 | 0.65 | CA2 (0.47) | ALDH1A1TSHRMCHR1KDM4ECA2 | |
| SCHEMBL31390138 | 0.65 | TSHR (0.41) | ALDH1A1GAATSHRNPBWR1KMT2A | |
| SCHEMBL27761779 | 0.64 | ALDH1A1 (0.55) | ALDH1A1TSHRKMT2ACTSLCYP2C19 | |
| SCHEMBL2565075 | 0.64 | ALDH1A1 (0.50) | ALDH1A1GAATSHRNPBWR1KMT2A | |
| SCHEMBL40649 | 0.64 | ALDH1A1 (0.45) | ALDH1A1TSHRKMT2ACYP2C19CA2 | |
| SCHEMBL123966 | 0.63 | CA2 (0.45) | ALDH1A1TSHRMCHR1KDM4ECA2 |
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-102333777-B | Nitrogen-containing fused heterocyclic compounds and their use as beta-amyloid production inhibitors | EISAI R&D MAN CO LTD | 2014-06-25 | — | — | CN | disclosed |
| CN-102333777-A | Nitrogen-containing fused heterocyclic compounds and their use as beta-amyloid production inhibitors | EISAI R&D MAN CO LTD | 2012-01-25 | — | — | CN | disclosed |