Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 8/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 6/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6310015 | 0.83 | ALDH1A1 (0.50) | ALDH1A1LMNAKMT2AMEN1TSHR | |
| SCHEMBL6310022 | 0.83 | ALDH1A1 (0.50) | ALDH1A1LMNAKMT2AMEN1TSHR | |
| SCHEMBL2579539 | 0.73 | LMNA (0.72) | ALDH1A1LMNAKMT2AMEN1TSHR | |
| SCHEMBL8558370 | 0.72 | ALDH1A1 (0.53) | ALDH1A1LMNAKMT2AMEN1TSHR | |
| SCHEMBL5961390 | 0.69 | SIGMAR1 (0.75) | ALDH1A1LMNAKMT2AMEN1TSHR | |
| SCHEMBL14045655 | 0.69 | ALDH1A1 (0.63) | ALDH1A1LMNAKMT2AMEN1TSHR | |
| SCHEMBL27580427 | 0.69 | ALDH1A1 (0.63) | ALDH1A1LMNAKMT2AMEN1TSHR | |
| SCHEMBL11036914 | 0.67 | LTA4H (0.77) | ALDH1A1LMNAKMT2AMEN1TSHR | |
| SCHEMBL613704 | 0.67 | LTA4H (0.77) | ALDH1A1LMNAKMT2AMEN1TSHR | |
| SCHEMBL16226425 | 0.66 | SMN1; SMN2 (0.62) | ALDH1A1LMNAKMT2AMEN1TSHR |
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-1341773-A2 | SUBSTITUTED 1,3,5-TRIAZINES AND PYRIMIDINES AS ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS | CV THERAPEUTICS, INC. (US) | 2003-09-10 | — | — | EP | disclosed |
| WO-2002046172-A2 | SUBSTITUTED 1, 3, 5-TRIAZINES AND PYRIMIDINES AS ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS | CV THERAPEUTICS, INC. (US) | 2002-06-13 | — | — | WO | disclosed |