Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | TOP2A | P11388 | 1/20 | 0.35 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2481845 | 1.00 | ALOX5 (0.44) | ALOX5DAOKMT2AALDH1A1HPGD | |
| SCHEMBL17459402 | 0.80 | GABBR2 (0.41) | DAOKMT2AALDH1A1HPGDTOP2A | |
| SCHEMBL17459302 | 0.80 | CES2 (0.38) | DAOKMT2AALDH1A1HPGDLMNA | |
| SCHEMBL2486571 | 0.75 | ALOX5 (0.39) | ALOX5DAOKMT2AALDH1A1HPGD | |
| SCHEMBL2485119 | 0.73 | KMT2A (0.40) | ALOX5DAOKMT2AALDH1A1HPGD | |
| SCHEMBL31176811 | 0.71 | HCAR2 (0.42) | KMT2AALDH1A1SMN1; SMN2MAPTMAPK1 | |
| SCHEMBL15759881 | 0.71 | — | — | |
| SCHEMBL8077711 | 0.71 | ALOX5 (0.46) | ALOX5DAOKMT2AALDH1A1HPGD | |
| SCHEMBL9000694 | 0.70 | CES2 (0.56) | ALOX5KMT2AHPGDCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL10763145 | 0.70 | ALOX5 (0.34) | ALOX5DAOKMT2AALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2376489-B1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | CHIESI FARMA SPA (IT) | 2015-04-22 | — | — | EP | disclosed |