Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL13060991 | 0.82 | HPGD (0.37) | TDP1ALOX15CYP3A4TP53THRB | |
| SCHEMBL14218921 | 0.74 | TDP1 (0.54) | TDP1ALOX15CYP3A4TP53THRB | |
| SCHEMBL14529245 | 0.73 | PRKCI (0.47) | ALDH1A1NPC1RAB9AMAPTCA1 | |
| SCHEMBL20663341 | 0.72 | RAB9A (0.57) | TDP1ALOX15CYP3A4TP53THRB | |
| SCHEMBL22006154 | 0.72 | CYP3A4 (0.52) | TDP1ALOX15CYP3A4TP53THRB | |
| SCHEMBL1010790 | 0.72 | RAPGEF4 (0.56) | TDP1TP53SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL29401670 | 0.72 | RAPGEF4 (0.56) | TDP1TP53SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL30951588 | 0.72 | RAPGEF4 (0.54) | TDP1TP53ALDH1A1GAARAB9A | |
| SCHEMBL838148 | 0.72 | RAPGEF4 (0.54) | TDP1TP53ALDH1A1GAARAB9A | |
| SCHEMBL22791425 | 0.71 | GAA (0.37) | CYP3A4HPGDALDH1A1GAANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2269990-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-01-05 | — | — | EP | disclosed |