Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.96 |
| ▸ | HPGD | P15428 | 2/20 | 0.96 |
| ▸ | ATM | Q13315 | 2/20 | 0.96 |
| ▸ | CDC25B | P30305 | 2/20 | 0.96 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.96 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.96 |
| ▸ | TP53 | P04637 | 1/20 | 0.96 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.96 |
| ▸ | TSHR | P16473 | 1/20 | 0.96 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.75 |
| ▸ | GAA | P10253 | 4/20 | 0.75 |
| ▸ | MAPT | P10636 | 3/20 | 0.75 |
| ▸ | MEN1 | O00255 | 3/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.75 |
| ▸ | RECQL | P46063 | 2/20 | 0.75 |
| ▸ | GLA | P06280 | 1/20 | 0.75 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.75 |
| ▸ | FADS1 | O60427 | 1/20 | 0.65 |
| ▸ | RAB9A | P51151 | 2/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29350230 | 0.98 | ALDH1A1 (1.00) | ALDH1A1HPGDATMCDC25BCYP3A4 | |
| SCHEMBL19796 | 0.98 | ALDH1A1 (1.00) | ALDH1A1HPGDATMCDC25BCYP3A4 | |
| Hydrochloric Acid SCHEMBL28744009 | 0.96 | ALDH1A1 (0.88) | ALDH1A1HPGDATMCDC25BCYP3A4 | |
| Diphenylamine SCHEMBL1072941 | 0.96 | ALDH1A1 (0.96) | ALDH1A1HPGDATMCDC25BCYP3A4 | |
| Methane SCHEMBL18448188 | 0.96 | ALDH1A1 (0.96) | ALDH1A1HPGDATMCDC25BCYP3A4 | |
| Hydrogen Sulfide SCHEMBL28156320 | 0.96 | ALDH1A1 (0.96) | ALDH1A1HPGDATMCDC25BCYP3A4 | |
| SCHEMBL27924058 | 0.96 | ALDH1A1 (0.96) | ALDH1A1HPGDATMCDC25BCYP3A4 | |
| Hydrochloric Acid SCHEMBL7408656 | 0.96 | ALDH1A1 (0.96) | ALDH1A1HPGDATMCDC25BCYP3A4 | |
| SCHEMBL28286951 | 0.96 | ALDH1A1 (0.96) | ALDH1A1HPGDATMCDC25BCYP3A4 | |
| SCHEMBL29609502 | 0.94 | ALDH1A1 (0.92) | ALDH1A1HPGDATMCDC25BCYP3A4 |
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-2019078636-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 희성소재(주) | 2019-04-25 | — | — | WO | disclosed |