Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 10/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3276460 | 0.83 | ALDH1A1 (0.52) | SLC6A2SLC6A4SLC6A3KDM4EALDH1A1 | |
| SCHEMBL28031218 | 0.82 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3KDM4EALDH1A1 | |
| SCHEMBL28827105 | 0.79 | KDM4E (0.51) | SLC6A2SLC6A4SLC6A3KDM4EALDH1A1 | |
| SCHEMBL1356983 | 0.78 | HTR1B (0.47) | SLC6A2SLC6A4KDM4EALDH1A1HPGD | |
| SCHEMBL8009191 | 0.78 | CYP1A2 (0.49) | SLC6A2SLC6A4SLC6A3KDM4EALDH1A1 | |
| SCHEMBL11577421 | 0.77 | KDM4E (0.52) | SLC6A2SLC6A4SLC6A3KDM4EALDH1A1 | |
| SCHEMBL28840585 | 0.77 | KDM4E (0.51) | SLC6A2SLC6A4KDM4EALDH1A1HPGD | |
| SCHEMBL27852222 | 0.76 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3KDM4EALDH1A1 | |
| SCHEMBL9345655 | 0.76 | ALDH1A1 (0.54) | SLC6A2SLC6A4SLC6A3KDM4EALDH1A1 | |
| SCHEMBL6565995 | 0.76 | ALDH1A1 (0.54) | SLC6A2SLC6A4KDM4EALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2545923-A1 | Antibacterial agents | Alchemia Limited (AU) | 2013-01-16 | — | — | EP | disclosed |
| EP-1934388-B1 | METHOD OF DRUG DESIGN | ALCHEMIA LTD (AU) | 2012-12-05 | — | — | EP | disclosed |
| EP-1934388-A1 | METHOD OF DRUG DESIGN | Alchemia Ltd (AU) | 2008-06-25 | — | — | EP | disclosed |
| EP-1797428-A1 | SELECTIVE INHIBITORS | Alchemia Pty Ltd (AU) | 2007-06-20 | — | — | EP | disclosed |
| WO-2007038829-A1 | METHOD OF DRUG DESIGN | ALCHEMIA LTD (AU) | 2007-04-12 | — | — | WO | disclosed |
| WO-2006037159-A1 | SELECTIVE INHIBITORS | ALCHEMIA LIMITED (AU) | 2006-04-13 | — | — | WO | disclosed |