Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.44 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11640384 | 0.87 | DRD2 (0.50) | TSHRALDH1A1 | |
| SCHEMBL188307 | 0.87 | TSHR (0.42) | SIGMAR1NOS1TSHRALDH1A1MEN1 | |
| SCHEMBL1170894 | 0.85 | SIGMAR1 (0.49) | SIGMAR1NPC1RAB9A | |
| SCHEMBL11562031 | 0.83 | TAAR1 (0.54) | SIGMAR1TSHRCYP2D6KCNH2 | |
| SCHEMBL5067956 | 0.82 | TAAR1 (0.49) | ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL4934938 | 0.79 | MAOA (0.48) | SIGMAR1 | |
| SCHEMBL28363538 | 0.78 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL11743463 | 0.78 | MAPT (0.50) | SIGMAR1 | |
| SCHEMBL11557909 | 0.78 | MAPT (0.50) | SIGMAR1 | |
| SCHEMBL30372157 | 0.77 | DAO (0.41) | ALDH1A1KCNJ1KCNH2 |
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 |