Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TSPO | P30536 | 1/20 | 0.38 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.35 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.35 |
| ▸ | KCNJ3 | P48549 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1124537 | 1.00 | ALDH1A1 (0.46) | ALDH1A1LMNAHDAC6TP53MAPT | |
| SCHEMBL1124560 | 0.81 | NR3C2 (0.40) | LMNAPTGDR2CYP2C9 | |
| SCHEMBL1124564 | 0.81 | NR3C2 (0.40) | LMNAPTGDR2CYP2C9 | |
| SCHEMBL1124178 | 0.79 | KIF11 (0.47) | TSPOP2RY14TMEM97PTGDR2CYP2C9 | |
| SCHEMBL1124182 | 0.79 | KIF11 (0.47) | TSPOP2RY14TMEM97PTGDR2CYP2C9 | |
| SCHEMBL1124349 | 0.76 | RXRA (0.39) | TSPOP2RY14TMEM97PTGDR2CYP2C9 | |
| SCHEMBL1124354 | 0.76 | RXRA (0.39) | TSPOP2RY14TMEM97PTGDR2CYP2C9 | |
| SCHEMBL2611120 | 0.76 | ALDH1A1 (0.55) | ALDH1A1LMNAHDAC6TP53MAPT | |
| SCHEMBL1124535 | 0.75 | TP53 (0.52) | ALDH1A1LMNAHDAC6TP53SMN1; SMN2 | |
| SCHEMBL1124163 | 0.74 | TRPV1 (0.50) | MAPTCYP2C9 |
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 |