Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.47 |
| ▸ | NPC1 | O15118 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | PAX8 | Q06710 | 4/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | GPX4 | P36969 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | FNIP1 | Q8TF40 | 1/20 | 0.39 |
| ▸ | FEM1B | Q9UK73 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 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 | |
|---|---|---|---|---|
| SCHEMBL11877630 | 0.77 | CYP3A4 (0.45) | RAB9ANPC1ALDH1A1PAX8TP53 | |
| SCHEMBL13664697 | 0.76 | TDP1 (0.42) | RAB9ANPC1ALDH1A1PAX8TP53 | |
| SCHEMBL11320368 | 0.74 | ALDH1A1 (0.41) | RAB9ANPC1ALDH1A1PAX8TP53 | |
| SCHEMBL11310284 | 0.73 | ALDH1A1 (0.43) | RAB9ANPC1ALDH1A1PAX8TP53 | |
| SCHEMBL15003279 | 0.73 | CYP3A4 (0.47) | ALDH1A1CYP3A4MAPTCCR5 | |
| SCHEMBL11429834 | 0.71 | TSHR (0.39) | RAB9ANPC1ALDH1A1PAX8TP53 | |
| Hydrochloric Acid SCHEMBL11427368 | 0.70 | TSHR (0.38) | RAB9ANPC1ALDH1A1PAX8TP53 | |
| SCHEMBL23723627 | 0.70 | ALDH1A1 (0.48) | RAB9ANPC1ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL30120738 | 0.70 | ALDH1A1 (0.48) | RAB9ANPC1ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL12498801 | 0.70 | TSHR (0.38) | ALDH1A1HTTLMNACYP3A4MAPT |
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-2009119528-A1 | HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2009-10-01 | — | — | WO | disclosed |