Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 9/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL228433 | 0.89 | MAPT (0.55) | MAPTGAAALDH1A1CYP2D6LMNA | |
| SCHEMBL2054231 | 0.88 | MAPT (0.54) | MAPTGAAALDH1A1CYP2D6LMNA | |
| SCHEMBL23275859 | 0.85 | MAPT (0.49) | MAPTGAAALDH1A1CYP2D6LMNA | |
| SCHEMBL7256004 | 0.81 | GAA (0.49) | MAPTGAAALDH1A1CYP2D6 | |
| SCHEMBL377359 | 0.81 | MAPT (0.42) | MAPTGAAALDH1A1LMNAKDM4E | |
| SCHEMBL10879659 | 0.80 | LMNA (0.58) | MAPTGAAALDH1A1LMNAMAPK1 | |
| SCHEMBL11196436 | 0.80 | MAPT (0.58) | MAPTGAAALDH1A1LMNAKDM4E | |
| SCHEMBL11190279 | 0.80 | TSHR (0.58) | MAPTALDH1A1LMNAMAPK1RAB9A | |
| SCHEMBL3644796 | 0.78 | CASP6 (0.43) | MAPTALDH1A1LMNAKDM4EMAPK1 | |
| SCHEMBL11200639 | 0.78 | ALDH1A1 (0.52) | MAPTALDH1A1RAB9ANPC1HPGD |
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-2011072241-A1 | 4 -OXO- IH -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-16 | — | — | WO | disclosed |