Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | KDM5A | P29375 | 2/20 | 0.40 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.40 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | METAP1 | P53582 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL18050478 | 1.00 | CYP1A2 (0.45) | CYP1A2MAPTBLMGABRR1LTA4H | |
| SCHEMBL11411422 | 0.90 | MAPT (0.44) | CYP1A2MAPTBLMGABRR1LTA4H | |
| SCHEMBL17590498 | 0.89 | METAP1 (0.46) | CYP1A2BLMGABRR1METAP1SIGMAR1 | |
| SCHEMBL6987701 | 0.89 | METAP1 (0.46) | CYP1A2BLMGABRR1METAP1SIGMAR1 | |
| SCHEMBL61275 | 0.89 | METAP1 (0.46) | CYP1A2BLMGABRR1METAP1SIGMAR1 | |
| SCHEMBL27620487 | 0.86 | MAPT (0.48) | CYP1A2MAPTBLMKDM5APHF8 | |
| SCHEMBL27620480 | 0.84 | MAPT (0.49) | CYP1A2MAPTBLMKDM5APHF8 | |
| SCHEMBL27488750 | 0.84 | ACE2 (0.44) | CYP1A2MAPTBLMGABRR1METAP1 | |
| SCHEMBL11757116 | 0.83 | ACE2 (0.47) | CYP1A2MAPTBLMGABRR1LTA4H | |
| SCHEMBL11223456 | 0.82 | CYP1A2 (0.45) | CYP1A2MAPTKDM5APHF8KDM2A |
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-1200546-B1 | ESTERS AND DIESTERS OF 3-CYCLOHEXYL-2-METHYL-1-PROPANOL, PERFUMED ARTICLES CONTAINING THEM AND METHOD OF IMPARTING FRAGRANCE | BUSH BOAKE ALLEN INC (US) | 2005-02-02 | — | — | EP | claimed |