Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GALR3 | O60755 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30279254 | 0.82 | SMN1; SMN2 (0.50) | GAAALDH1A1TDP1CYP3A4ALOX15 | |
| SCHEMBL395055 | 0.82 | SMN1; SMN2 (0.50) | GAAALDH1A1TDP1CYP3A4ALOX15 | |
| SCHEMBL29749675 | 0.81 | HSD17B10 (0.51) | GAAALDH1A1TDP1CYP3A4MAPT | |
| SCHEMBL1684398 | 0.80 | ALDH1A1 (0.44) | ALDH1A1TDP1MAPTSMN1; SMN2KMT2A | |
| SCHEMBL18053615 | 0.79 | POLB (0.47) | GAAALDH1A1TDP1CYP3A4MAPT | |
| SCHEMBL1684443 | 0.78 | POLB (0.42) | GAAALDH1A1TDP1CYP3A4SMN1; SMN2 | |
| SCHEMBL12740244 | 0.77 | SMN1; SMN2 (0.44) | GAAALDH1A1TDP1MAPTSMN1; SMN2 | |
| SCHEMBL2820413 | 0.77 | CYP3A4 (0.44) | GAAALDH1A1TDP1CYP3A4MAPT | |
| SCHEMBL18053616 | 0.76 | MAPT (0.43) | GAAALDH1A1TDP1MAPTSMN1; SMN2 | |
| SCHEMBL3137094 | 0.76 | SMN1; SMN2 (0.41) | GAAALDH1A1TDP1MAPTSMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2509954-A1 | 4 -OXO- 1H -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011072241-A1 | 4 -OXO- IH -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-16 | — | — | WO | disclosed |