Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 2/20 | 0.44 |
| ▸ | TTR | P02766 | 2/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
| ▸ | IAPP | P10997 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL593741 | 0.86 | TRPA1 (0.67) | TRPA1BACE1MAPTKDM4ELMNA | |
| SCHEMBL21002056 | 0.84 | BACE1 (0.55) | TRPA1BACE1BCHEALOX15IAPP | |
| SCHEMBL921274 | 0.84 | CA1 (0.56) | TRPA1BACE1MAPTKDM4ELMNA | |
| SCHEMBL11786007 | 0.84 | TTR (0.47) | TRPA1BACE1TTRBCHEMAPT | |
| SCHEMBL11648149 | 0.83 | TRPA1 (0.61) | TRPA1BACE1BCHEMAPTKDM4E | |
| SCHEMBL5373052 | 0.83 | BACE1 (0.63) | TRPA1BACE1MAPTKDM4ELMNA | |
| SCHEMBL606892 | 0.82 | EGFR (0.43) | TRPA1BACE1MAPTKDM4EHSD17B10 | |
| SCHEMBL5168102 | 0.81 | CNR1 (0.59) | TRPA1BACE1BCHEKDM4EHSD17B10 | |
| SCHEMBL14491132 | 0.81 | CYP4F2 (0.47) | BACE1MAPTKDM4ELMNATP53 | |
| SCHEMBL4625228 | 0.80 | TYR (0.65) | BCHEMAPTTP53ALOX15MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110452215-B | Preparation method of erlotinib intermediate and erlotinib | 新发药业有限公司 | 2020-07-17 | — | — | CN | disclosed |
| CN-106518842-A | Alectinib preparation method | 北京万全德众医药生物技术有限公司 | 2017-03-22 | — | — | CN | disclosed |