Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | SYNJ2 | O15056 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL70379 | 0.78 | ALOX5 (0.70) | CYP3A4MAPTPTGS2ALOX5MAOB | |
| SCHEMBL8064768 | 0.78 | CYP3A4 (0.67) | CYP3A4MAPTPTGS2ALOX5MAOB | |
| SCHEMBL3300403 | 0.77 | CYP3A4 (0.53) | CYP3A4MAPTALOX5MAOBPTPN1 | |
| SCHEMBL27540426 | 0.76 | ACHE (0.59) | CYP3A4MAPTTDP1CA1CA2 | |
| Ethane SCHEMBL27660205 | 0.76 | ALOX5 (0.67) | CYP3A4MAPTPTGS2ALOX5MAOB | |
| SCHEMBL320899 | 0.76 | CYP3A4 (0.64) | CYP3A4MAPTPTGS2ALOX5MAOB | |
| SCHEMBL34336 | 0.76 | ALDH1A1 (0.53) | CYP3A4MAPTTDP1CYP1A1CA1 | |
| Antiarol SCHEMBL210578 | 0.76 | CYP3A4 (1.00) | CYP3A4MAPTPTGS2ALOX5MAOB | |
| SCHEMBL23757778 | 0.74 | CYP3A4 (0.61) | CYP3A4MAPTPTGS2ALOX5MAOB | |
| SCHEMBL2002889 | 0.74 | CYP3A4 (0.61) | CYP3A4MAPTPTGS2ALOX5MAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-102225914-A | 3-alkenyl-4-aldehyde-5-aryl-4-isoxazoline compound, preparation method thereof and purpose thereof | CHENGDU INST BIOLOGY CAS | 2011-10-26 | — | — | CN | disclosed |
| US-7368463-B2 | Substituted 4-amino-1-benzylpiperidine compounds | THERAVANCE, INC. (US) | 2008-05-06 | — | — | US | disclosed |