Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.41 |
| ▸ | CA1 | P00915 | 6/20 | 0.41 |
| ▸ | CA2 | P00918 | 6/20 | 0.41 |
| ▸ | CA9 | Q16790 | 6/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 4/20 | 0.38 |
| ▸ | CA5A | P35218 | 4/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1124140 | 1.00 | CA12 (0.41) | CA12CA1CA2CA9TRPV1 | |
| SCHEMBL1124163 | 0.87 | TRPV1 (0.50) | CA12CA1CA2CA9TRPV1 | |
| SCHEMBL1124160 | 0.87 | TRPV1 (0.50) | CA12CA1CA2CA9TRPV1 | |
| SCHEMBL1124276 | 0.82 | MAP4K4 (0.34) | TRPV1WNT3AHDAC3HDAC1HDAC2 | |
| SCHEMBL1124282 | 0.82 | MAP4K4 (0.34) | TRPV1WNT3AHDAC3HDAC1HDAC2 | |
| SCHEMBL1124560 | 0.75 | NR3C2 (0.40) | TRPV1HDAC1 | |
| SCHEMBL1124564 | 0.75 | NR3C2 (0.40) | TRPV1HDAC1 | |
| SCHEMBL2374022 | 0.74 | NAMPT (0.50) | TRPV1HDAC3HDAC1HDAC2KDM4E | |
| SCHEMBL1124141 | 0.74 | NAMPT (0.50) | TRPV1HDAC3HDAC1HDAC2KDM4E | |
| SCHEMBL17247906 | 0.74 | CYP2A6 (0.50) | TRPV1CCR6KDM4ENPC1RAB9A |
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-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | claimed |
| EP-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | disclosed |