Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MPL | P40238 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | F2RL3 | Q96RI0 | 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 | |
|---|---|---|---|---|
| SCHEMBL27803498 | 0.85 | ALOX5 (0.48) | ALOX5ALDH1A1KDM4ESMN1; SMN2HPGD | |
| SCHEMBL27626587 | 0.80 | ALOX5 (0.71) | ALOX5ALDH1A1KDM4ESMN1; SMN2HPGD | |
| SCHEMBL27824198 | 0.80 | ALOX5 (0.43) | ALOX5ALDH1A1SMN1; SMN2HCRTR1HCRTR2 | |
| SCHEMBL27803545 | 0.78 | ALOX5 (0.52) | ALOX5ALDH1A1KDM4ETGFBR1SMN1; SMN2 | |
| SCHEMBL27824237 | 0.76 | ALOX5 (0.51) | ALOX5ALDH1A1KDM4ESMN1; SMN2HPGD | |
| SCHEMBL984311 | 0.76 | KDM4E (0.67) | ALDH1A1KDM4ETGFBR1SMN1; SMN2HPGD | |
| SCHEMBL27824212 | 0.75 | ALOX5 (0.40) | ALOX5KDM4ESMN1; SMN2HPGDADORA3 | |
| SCHEMBL28786372 | 0.75 | ALOX5 (0.43) | ALOX5SMN1; SMN2HCRTR1HCRTR2GAA | |
| SCHEMBL1969038 | 0.74 | ALDH1A1 (0.47) | ALDH1A1KDM4ETGFBR1SMN1; SMN2HPGD | |
| SCHEMBL14631967 | 0.74 | HCRTR1 (0.45) | ALOX5ALDH1A1HPGDHSD17B10HCRTR1 |
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-102164896-A | Phenethylamide derivatives and their heterocyclic analogues | ACTELION PHARMACEUTICALS LTD | 2011-08-24 | — | — | CN | disclosed |
| CN-101965343-A | 2-aza-bicyclo[2.2.1]heptane derivatives | ACTELION PHARMACEUTICALS LTD | 2011-02-02 | — | — | CN | disclosed |