Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 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 | |
|---|---|---|---|---|
| SCHEMBL14173380 | 0.90 | ALDH1A1 (0.51) | ALDH1A1ALOX15TDP1USP2CYP1A2 | |
| SCHEMBL7293121 | 0.89 | ALDH1A1 (0.54) | ALDH1A1ALOX15TDP1USP2CYP1A2 | |
| SCHEMBL7424483 | 0.89 | ALDH1A1 (0.54) | ALDH1A1ALOX15TDP1USP2CYP1A2 | |
| Hydrochloric Acid SCHEMBL7424476 | 0.88 | ALDH1A1 (0.52) | ALDH1A1ALOX15TDP1USP2CYP1A2 | |
| SCHEMBL11850612 | 0.86 | ALDH1A1 (0.60) | ALDH1A1ALOX15TDP1USP2CYP1A2 | |
| SCHEMBL16670930 | 0.86 | ALDH1A1 (0.60) | ALDH1A1ALOX15TDP1USP2CYP1A2 | |
| SCHEMBL11848082 | 0.86 | ALDH1A1 (0.60) | ALDH1A1ALOX15TDP1USP2CYP1A2 | |
| SCHEMBL4449957 | 0.86 | ALDH1A1 (0.60) | ALDH1A1ALOX15TDP1USP2CYP1A2 | |
| SCHEMBL852008 | 0.85 | CYP1A2 (0.46) | ALDH1A1ALOX15TDP1USP2CYP1A2 | |
| Hydrochloric Acid SCHEMBL29602469 | 0.84 | GNAO1 (0.46) | ALDH1A1ALOX15TDP1USP2CYP1A2 |
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-1874315-A2 | COMPOSITIONS OF NOVEL OPIOID COMPOUNDS AND METHOD OF USE THEREOF | Mount Cook Biosciences, Inc. (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006113468-A2 | COMPOSITIONS OF NOVEL OPIOID COMPOUNDS AND METHOD OF USE THEREOF | MOUNT COOK BIOSCIENCES, INC. (US) | 2006-10-26 | — | — | WO | disclosed |