Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1124311 | 0.83 | CA12 (0.45) | LMNASMN1; SMN2MEN1KMT2ASLC6A2 | |
| SCHEMBL31207028 | 0.83 | ADRB2 (0.58) | ADRB2LMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL2334696 | 0.80 | CYP17A1 (0.50) | LMNASMN1; SMN2MEN1KMT2ACYP17A1 | |
| SCHEMBL2334559 | 0.77 | MKNK1 (0.56) | LMNAHTTMKNK1MKNK2CLK4 | |
| SCHEMBL1124235 | 0.76 | CA12 (0.46) | HTTWNT3A | |
| SCHEMBL1124106 | 0.76 | WNT3A (0.46) | WNT3AHDAC4 | |
| SCHEMBL208487 | 0.75 | CES1 (0.54) | LMNAMEN1KMT2AHTTABCC4 | |
| SCHEMBL1124410 | 0.74 | WNT3A (0.40) | LMNAMEN1KMT2ACYP17A1HTT | |
| SCHEMBL3873211 | 0.73 | CA2 (0.63) | LMNASLC6A2NPC1RAB9A | |
| Ethylene SCHEMBL6400163 | 0.73 | CES1 (0.52) | LMNAMEN1KMT2AHTTABCC4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | claimed |
| WO-2009141782-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-11-26 | — | — | WO | claimed |
| EP-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009141782-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-11-26 | — | — | WO | disclosed |