Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | SLC18A2 | Q05940 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20595718 | 1.00 | CYP2D6 (0.54) | CYP2D6CYP1A2HIF1ASLC18A2TSHR | |
| SCHEMBL25969912 | 1.00 | CYP2D6 (0.54) | CYP2D6CYP1A2HIF1ASLC18A2TSHR | |
| SCHEMBL25969915 | 1.00 | CYP2D6 (0.54) | CYP2D6CYP1A2HIF1ASLC18A2TSHR | |
| SCHEMBL20595798 | 0.93 | CYP2D6 (0.50) | CYP2D6CYP1A2HIF1ASLC18A2TSHR | |
| SCHEMBL25969813 | 0.88 | ATM (0.45) | CYP2D6CYP1A2HIF1ATSHRLMNA | |
| SCHEMBL6012057 | 0.87 | ATM (0.44) | CYP2D6CYP1A2HIF1ALMNAHTR2A | |
| SCHEMBL6535534 | 0.87 | OPRD1 (0.45) | TSHRLMNAOPRD1KDM1ANPC1 | |
| SCHEMBL1584144 | 0.86 | OPRD1 (0.45) | TSHRLMNAOPRD1KDM1ANPC1 | |
| SCHEMBL5177116 | 0.85 | KDM1A (0.46) | CYP2D6CYP1A2HIF1ALMNAOPRD1 | |
| SCHEMBL25981686 | 0.82 | NR1H2 (0.44) | TSHRLMNAOPRD1KDM1AMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1242081-A4 | CASPASES AND APOPTOSIS | SMITHKLINE BEECHAM CORP (US) | 2004-07-21 | — | — | EP | disclosed |
| EP-1242081-A1 | CASPASES AND APOPTOSIS | SmithKline Beecham Corporation (US) | 2002-09-25 | — | — | EP | disclosed |
| US-6403792-B1 | INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS | SMITHKLINE BEECHAM CORPORATION | 2002-06-11 | — | — | US | disclosed |
| WO-2001022966-A1 | CASPASES AND APOPTOSIS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-04-05 | — | — | WO | disclosed |