Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | HNF4A | P41235 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL3975515 | 0.86 | BCAT2 (0.54) | BCAT2L3MBTL1TDP1HNF4ALMNA | |
| SCHEMBL3981622 | 0.83 | BCAT2 (0.44) | BCAT2L3MBTL1TDP1LMNAKDM4E | |
| SCHEMBL5504641 | 0.82 | BCAT2 (0.57) | BCAT2L3MBTL1TDP1HNF4ALMNA | |
| SCHEMBL3979295 | 0.82 | BCAT2 (0.43) | BCAT2L3MBTL1TDP1LMNAKDM4E | |
| SCHEMBL1667777 | 0.81 | BCAT2 (0.56) | BCAT2KDM4EPARP1HTT | |
| SCHEMBL11340527 | 0.77 | HNF4A (0.54) | BCAT2L3MBTL1TDP1HNF4ALMNA | |
| SCHEMBL30504310 | 0.77 | BCAT2 (0.62) | BCAT2L3MBTL1HNF4AKDM4ERAB9A | |
| Hydrochloric Acid SCHEMBL30628503 | 0.76 | BCAT2 (0.61) | BCAT2L3MBTL1HNF4AKDM4ERAB9A | |
| Hydrochloric Acid SCHEMBL30504328 | 0.76 | BCAT2 (0.61) | BCAT2L3MBTL1HNF4AKDM4ERAB9A | |
| SCHEMBL28081509 | 0.76 | BCAT2 (0.61) | BCAT2HNF4AKDM4ERAB9ASMN1; SMN2 |
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 |