Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 5/20 | 0.56 |
| ▸ | TTR | P02766 | 3/20 | 0.48 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.39 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.39 |
| ▸ | COMT | P21964 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11803455 | 0.90 | GPR35 (0.58) | GPR35TTRVCAM1ESR1 | |
| SCHEMBL11817166 | 0.86 | GPR35 (0.54) | GPR35TTRVCAM1ALDH1A1ESR1 | |
| SCHEMBL7247792 | 0.85 | TTR (0.60) | GPR35TTRALDH1A1MAPTHPGD | |
| SCHEMBL4901895 | 0.81 | GPR35 (0.61) | GPR35TTRVCAM1ALDH1A1ABCC3 | |
| SCHEMBL3770749 | 0.81 | TTR (0.62) | GPR35TTRVCAM1ALDH1A1 | |
| SCHEMBL11802620 | 0.80 | GPR35 (0.59) | GPR35TTRVCAM1ALDH1A1MAPT | |
| SCHEMBL11799616 | 0.79 | GPR35 (0.57) | GPR35TTRVCAM1ALDH1A1MAPT | |
| SCHEMBL6740307 | 0.79 | VCAM1 (0.70) | VCAM1ALDH1A1MAPTHSP90AA1HPGD | |
| Potassium SCHEMBL11799629 | 0.79 | GPR35 (0.57) | GPR35TTRVCAM1ALDH1A1MAPT | |
| Potassium Ion SCHEMBL11799623 | 0.79 | GPR35 (0.57) | GPR35TTRVCAM1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-3953369-A | NONIONIC SURFACTANT | NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JA) | 1976-04-27 | — | — | US | claimed |
| US-3933472-A | Substituted alkylaryl ketones and methods of use as herbicides | BUCKMAN LABORATORIES, INC. (US) | 1976-01-20 | — | — | US | disclosed |