Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.44 |
| ▸ | WNT3A | P56704 | 13/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL1124311 | 0.81 | CA12 (0.45) | CA12CA1CA2CA5ACA9 | |
| SCHEMBL2906800 | 0.80 | KMT2A (0.55) | CA12CA1CA2CA5ACA9 | |
| SCHEMBL26125738 | 0.79 | WNT3A (0.50) | CA12CA1CA2CA5ACA9 | |
| SCHEMBL2334696 | 0.79 | CYP17A1 (0.50) | WNT3ACYP19A1HTT | |
| SCHEMBL2334559 | 0.78 | MKNK1 (0.56) | CA12CA1CA2CA9WNT3A | |
| SCHEMBL1124076 | 0.76 | ADRB2 (0.51) | WNT3AHTT | |
| SCHEMBL1124410 | 0.76 | WNT3A (0.40) | CA2WNT3AHTT | |
| SCHEMBL1124106 | 0.74 | WNT3A (0.46) | WNT3A | |
| SCHEMBL2735065 | 0.73 | MKNK1 (0.57) | PIM1PIM2 | |
| SCHEMBL6852664 | 0.73 | CYP2D6 (0.49) | CA12CA1CA2CA5ACA9 |
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 |
| WO-2009141782-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-11-26 | — | — | WO | claimed |