Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.34 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.34 |
| ▸ | WNT3A | P56704 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 2/20 | 0.32 |
| ▸ | RXRB | P28702 | 2/20 | 0.32 |
| ▸ | RXRG | P48443 | 2/20 | 0.32 |
| ▸ | LGMN | Q99538 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1124276 | 1.00 | MAP4K4 (0.34) | MAP4K4PIK3CAKCNH2MINK1PI4KB | |
| SCHEMBL1124354 | 0.86 | RXRA (0.39) | PIK3CAKDM1AHDAC1RXRARXRB | |
| SCHEMBL1124349 | 0.86 | RXRA (0.39) | PIK3CAKDM1AHDAC1RXRARXRB | |
| SCHEMBL1124143 | 0.82 | CA12 (0.41) | WNT3AHDAC3HDAC1HDAC2TRPV1 | |
| SCHEMBL1124140 | 0.82 | CA12 (0.41) | WNT3AHDAC3HDAC1HDAC2TRPV1 | |
| SCHEMBL1124178 | 0.75 | KIF11 (0.47) | RXRARXRBRXRG | |
| SCHEMBL1124182 | 0.75 | KIF11 (0.47) | RXRARXRBRXRG | |
| SCHEMBL2373629 | 0.72 | KDM1A (0.48) | KDM1AHDAC6TRPV1 | |
| SCHEMBL1124280 | 0.72 | KDM1A (0.48) | KDM1AHDAC6TRPV1 | |
| SCHEMBL1124560 | 0.70 | NR3C2 (0.40) | HDAC1TRPV1 |
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 |