Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.44 |
| ▸ | NPC1L1 | Q9UHC9 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 9/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 9/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 9/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 9/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20187016 | 0.84 | HSD17B10 (0.57) | HSD17B10BDKRB2NPC1L1OPRM1OPRD1 | |
| SCHEMBL173699 | 0.80 | BDKRB2 (0.59) | HSD17B10BDKRB2NPC1L1OPRM1OPRD1 | |
| SCHEMBL3067132 | 0.79 | OPRL1 (0.61) | HSD17B10BDKRB2NPC1L1OPRM1OPRD1 | |
| SCHEMBL1415422 | 0.79 | HSD17B10 (0.52) | HSD17B10BDKRB2NPC1L1OPRM1OPRD1 | |
| SCHEMBL319018 | 0.79 | DDR1 (0.49) | HSD17B10BDKRB2NPC1L1OPRD1TSHR | |
| Hydrochloric Acid SCHEMBL3231229 | 0.78 | OPRL1 (0.60) | HSD17B10BDKRB2NPC1L1OPRM1OPRD1 | |
| Hydrochloric Acid SCHEMBL9485290 | 0.78 | OPRL1 (0.60) | HSD17B10BDKRB2NPC1L1OPRM1OPRD1 | |
| SCHEMBL12893390 | 0.78 | BDKRB2 (0.74) | HSD17B10BDKRB2NPC1L1OPRM1OPRD1 | |
| SCHEMBL1415418 | 0.77 | HSD17B10 (0.54) | HSD17B10BDKRB2NPC1L1OPRM1OPRD1 | |
| Trifluoroacetic Acid SCHEMBL6247355 | 0.77 | OPRM1 (0.52) | HSD17B10BDKRB2NPC1L1OPRM1OPRD1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6277991-B1 | FOR TREATMENT OF MIGRAINE, NON-INSULIN DEPENDENT DIABETES MELLITUS, SEPSIS, INFLAMMATION, INCONTINENCE, VASOMOTOR DISTURBANCES SUCH AS HOT FLUSHES OR HOT FLASHES | NOVO NORDISK A/S (DK) | 2001-08-21 | — | — | US | disclosed |
| EP-1080091-A1 | NOVEL 1,3,8-TRIAZASPIRO[4.5]DECANONES WITH HIGH AFFINITY FOR OPIOID RECEPTOR SUBTYPES | Novo Nordisk A/S (DK) | 2001-03-07 | — | — | EP | disclosed |
| WO-1999059997-A1 | NOVEL 1,3,8-TRIAZASPIRO[4.5]DECANONES WITH HIGH AFFINITY FOR OPIOID RECEPTOR SUBTYPES | NOVO NORDISK A/S (DK) | 1999-11-25 | — | — | WO | disclosed |