Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10451644 | 0.93 | ALDH1A1 (0.42) | ALDH1A1ATMTSHRHPGDESR1 | |
| SCHEMBL11438850 | 0.90 | MAPT (0.43) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL25964471 | 0.87 | DGKA (0.42) | ALDH1A1ATMTSHRHPGDMAPK1 | |
| SCHEMBL25964438 | 0.87 | DGKA (0.42) | ALDH1A1ATMTSHRHPGDMAPK1 | |
| SCHEMBL21891970 | 0.87 | DGKA (0.42) | ALDH1A1ATMTSHRHPGDMAPK1 | |
| SCHEMBL23553042 | 0.85 | MAPT (0.41) | ALDH1A1NAAAMAPTCA1CA2 | |
| SCHEMBL11236918 | 0.85 | ALDH1A1 (0.36) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL11443787 | 0.83 | MAPT (0.43) | NAAAMAPTCA2EPHX1 | |
| SCHEMBL16542989 | 0.81 | NAAA (0.46) | ALDH1A1TSHRLMNAHCAR2NAAA | |
| SCHEMBL26108644 | 0.81 | CA1 (0.33) | ALDH1A1ATMTSHRTDP1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015069766-A1 | DUPA-INDENOISOQUINOLINE CONJUGATES | PURDUE RESEARCH FOUNDATION (US) | 2015-05-14 | — | — | WO | disclosed |