Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | RXFP1 | Q9HBX9 | 5/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3442769 | 0.91 | ALDH1A1 (0.69) | ALDH1A1MAPTSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL3442518 | 0.90 | ALDH1A1 (0.70) | ALDH1A1MAPTSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL14874673 | 0.79 | MAPK1 (0.56) | ALDH1A1MAPTSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL14874458 | 0.78 | ALDH1A1 (0.54) | ALDH1A1MAPTSMN1; SMN2LMNAMAPK1 | |
| Methane SCHEMBL5711052 | 0.76 | ALDH1A1 (0.52) | ALDH1A1MAPTSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL1965857 | 0.76 | ALDH1A1 (0.78) | ALDH1A1MAPTSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL6016298 | 0.75 | MEN1 (0.47) | ALDH1A1MAPTSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL2953742 | 0.75 | ALDH1A1 (0.58) | ALDH1A1MAPTSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL6016458 | 0.75 | ALDH1A1 (0.58) | ALDH1A1MAPTSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL4593201 | 0.75 | ALDH1A1 (0.76) | ALDH1A1MAPTSMN1; SMN2LMNAMAPK1 |
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-1718632-A1 | PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | Sanofi-Aventis (FR) | 2006-11-08 | — | — | EP | disclosed |
| WO-2005075458-A1 | PYRIMIDINE DERIVATIVES AS OREXIN RECEPTORS ANTAGONISTS | SANOFI-AVENTIS (FR) | 2005-08-18 | — | — | WO | disclosed |