Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MLYCD | O95822 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15519635 | 0.83 | MLYCD (0.40) | POLBMLYCDALDH1A1NPC1L3MBTL1 | |
| SCHEMBL4444128 | 0.81 | POLB (0.46) | POLBMLYCDALDH1A1NPC1L3MBTL1 | |
| SCHEMBL5933411 | 0.78 | MLYCD (0.47) | POLBMLYCDALDH1A1NPC1L3MBTL1 | |
| SCHEMBL4720974 | 0.76 | TSHR (0.33) | ALDH1A1TSHRCYP2D6CYP2C19 | |
| SCHEMBL1132975 | 0.75 | CA12 (0.31) | ALDH1A1MAPT | |
| SCHEMBL559019 | 0.74 | PIN1 (0.33) | — | |
| SCHEMBL657409 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL3706142 | 0.72 | ALDH1A1 (0.38) | POLBMLYCDALDH1A1NPC1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL1026856 | 0.72 | KDM4E (0.34) | — | |
| SCHEMBL4062047 | 0.72 | NTRK2 (0.34) | — |
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-2496557-A1 | TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE | GlaxoSmithKline LLC (US) | 2012-09-12 | — | — | EP | disclosed |
| WO-2011054841-A1 | TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE | GLAXOSMITHKLINE LLC (US) | 2011-05-12 | — | — | WO | disclosed |