Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | MYC | P01106 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | HNF4A | P41235 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11081413 | 0.73 | FABP4 (0.47) | KDM4EALDH1A1POLBCYP3A4CYP2C9 | |
| SCHEMBL29726703 | 0.72 | ALDH1A1 (0.52) | KDM4ERAB9AALDH1A1ALOX15MYC | |
| SCHEMBL7799064 | 0.72 | ALDH1A1 (0.52) | KDM4ERAB9AALDH1A1ALOX15MYC | |
| SCHEMBL1526540 | 0.71 | NISCH (0.60) | — | |
| SCHEMBL8376104 | 0.70 | KDM4E (0.41) | KDM4ERAB9AALDH1A1ALOX15MYC | |
| SCHEMBL7488646 | 0.69 | NISCH (0.56) | KDM4ERAB9AALDH1A1ALOX15MYC | |
| SCHEMBL36145 | 0.69 | ALDH1A1 (0.72) | KDM4EALDH1A1ALOX15MYCPOLB | |
| SCHEMBL30028907 | 0.69 | ALDH1A1 (0.72) | KDM4EALDH1A1ALOX15MYCPOLB | |
| SCHEMBL7486584 | 0.68 | NISCH (0.50) | KDM4ERAB9AALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL2029224 | 0.67 | ALDH1A1 (0.41) | KDM4ERAB9AALDH1A1ALOX15MYC |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2632253-B1 | PROCESS FOR THE PREPARATION OF AN OREXIN RECEPTOR ANTAGONIST | MERCK SHARP & DOHME (US) | 2016-04-06 | — | — | EP | disclosed |