Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.70 |
| ▸ | IDO1 | P14902 | 3/20 | 0.46 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL352795 | 0.88 | ALDH1A1 (0.52) | LOXL2ALDH1A1MAPTL3MBTL1KDM4E | |
| SCHEMBL353942 | 0.88 | ALDH1A1 (0.52) | LOXL2ALDH1A1MAPTL3MBTL1KDM4E | |
| SCHEMBL811522 | 0.88 | ALDH1A1 (0.52) | LOXL2ALDH1A1MAPTL3MBTL1KDM4E | |
| Hydrochloric Acid SCHEMBL913942 | 0.86 | ALDH1A1 (0.50) | LOXL2IDO1ALDH1A1MAPTL3MBTL1 | |
| Ammonia Solution, Strong SCHEMBL4826153 | 0.86 | ALDH1A1 (0.50) | LOXL2ALDH1A1MAPTL3MBTL1KDM4E | |
| Hydrochloric Acid SCHEMBL248092 | 0.86 | ALDH1A1 (0.50) | LOXL2IDO1ALDH1A1MAPTL3MBTL1 | |
| Hydrochloric Acid SCHEMBL913941 | 0.86 | ALDH1A1 (0.50) | LOXL2IDO1ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL354332 | 0.84 | LOXL2 (1.00) | LOXL2IDO1KCNJ1KCNH2ALDH1A1 | |
| SCHEMBL30913865 | 0.82 | CA12 (0.53) | LOXL2ALDH1A1MAPTL3MBTL1KDM4E | |
| Hydrochloric Acid SCHEMBL726 | 0.82 | LOXL2 (0.95) | LOXL2IDO1KCNJ1KCNH2ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3965129-A | THREO-EPOXYACONITIC ACID BIS-R(+)-ALPHA-METHYL-P-NITROBENZYLAMINE SALT | HOFFMANN-LA ROCHE INC. (US) | 1976-06-22 | — | — | US | disclosed |