Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.50 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1124462 | 1.00 | TRPV1 (0.50) | TRPV1TRPV4P4HTMCYP1A2KDM4E | |
| SCHEMBL27766798 | 0.89 | TRPV1 (0.45) | TRPV1TRPV4P4HTMCYP1A2KDM4E | |
| SCHEMBL3662968 | 0.85 | P4HTM (0.58) | TRPV1TRPV4P4HTMCYP1A2KDM4E | |
| SCHEMBL454425 | 0.85 | P4HTM (0.58) | TRPV1TRPV4P4HTMCYP1A2KDM4E | |
| SCHEMBL454424 | 0.85 | P4HTM (0.58) | TRPV1TRPV4P4HTMCYP1A2KDM4E | |
| SCHEMBL30025274 | 0.85 | P4HTM (0.58) | TRPV1TRPV4P4HTMCYP1A2KDM4E | |
| SCHEMBL14480441 | 0.85 | TRPV4 (0.46) | TRPV1TRPV4TGFBR1MRGPRX4KMT2A | |
| SCHEMBL2401676 | 0.84 | TRPV1 (0.50) | TRPV1TRPV4P4HTMCYP1A2HDAC3 | |
| SCHEMBL2401668 | 0.84 | TRPV1 (0.50) | TRPV1TRPV4P4HTMCYP1A2HDAC3 | |
| SCHEMBL1124342 | 0.84 | TRPV1 (0.50) | TRPV1TRPV4P4HTMCYP1A2HDAC3 |
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 |