Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MYC | P01106 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5067779 | 0.79 | MYC (0.47) | MYCL3MBTL1PDK2TACR1BCAT2 | |
| Trifluoroacetic Acid SCHEMBL1786800 | 0.73 | NPC1 (0.45) | MYCL3MBTL1BCAT2HTTLMNA | |
| Trifluoroacetic Acid SCHEMBL5072107 | 0.73 | NPC1 (0.45) | MYCL3MBTL1BCAT2HTTLMNA | |
| SCHEMBL26919137 | 0.73 | IRAK4 (0.41) | MYCL3MBTL1PDK2TACR1BCAT2 | |
| SCHEMBL29057024 | 0.71 | ALDH1A1 (0.57) | MYCL3MBTL1MEN1CYP3A4KMT2A | |
| Trifluoroacetic Acid SCHEMBL27999207 | 0.71 | L3MBTL1 (0.44) | MYCL3MBTL1PDK2BCAT2HTT | |
| Trifluoroacetic Acid SCHEMBL4629336 | 0.70 | FFAR1 (0.45) | MYCPDK2TACR1FFAR1FFAR4 | |
| Trifluoroacetic Acid SCHEMBL6382776 | 0.69 | TAAR1 (0.68) | HDAC6 | |
| SCHEMBL3701689 | 0.69 | MYC (0.51) | MYCL3MBTL1BCAT2HTTLMNA | |
| Trifluoroacetic Acid SCHEMBL5615001 | 0.69 | CHIT1 (0.42) | MYCL3MBTL1HTTLMNACYP3A4 |
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-2054383-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SmithKline Beecham Corporation (US) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008021849-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |