Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | CSF1R | P07333 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | FLT3 | P36888 | 1/20 | 0.45 |
| ▸ | GSK3A | P49840 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.45 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2277337 | 0.88 | ALDH1A1 (0.48) | ALOX5TSHRALDH1A1LMNAROCK2 | |
| SCHEMBL15783957 | 0.88 | ALDH1A1 (0.48) | ALOX5TSHRALDH1A1LMNAROCK2 | |
| SCHEMBL29846133 | 0.88 | ALDH1A1 (0.48) | ALOX5TSHRALDH1A1LMNAROCK2 | |
| SCHEMBL29400313 | 0.88 | ALDH1A1 (0.48) | ALOX5TSHRALDH1A1LMNAROCK2 | |
| SCHEMBL1361818 | 0.88 | ALDH1A1 (0.48) | ALOX5TSHRALDH1A1LMNAROCK2 | |
| SCHEMBL21704257 | 0.87 | ALDH1A1 (0.47) | ALOX5TSHRALDH1A1LMNAROCK2 | |
| SCHEMBL30292809 | 0.87 | ALDH1A1 (0.47) | ALOX5TSHRALDH1A1LMNAROCK2 | |
| SCHEMBL28421553 | 0.85 | TDP1 (0.43) | ALOX5TSHRALDH1A1LMNAROCK2 | |
| SCHEMBL2568951 | 0.85 | TTR (0.46) | ALOX5ALDH1A1LMNAPDPK1TDP1 | |
| SCHEMBL2568947 | 0.85 | TTR (0.46) | ALOX5ALDH1A1LMNAPDPK1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113354599-B | Preparation method of nintedanib key intermediate | 长沙康鹏医药有限公司 | 2021-10-26 | — | — | CN | disclosed |
| CN-113354599-A | Preparation method of nintedanib key intermediate | 长沙康鹏医药有限公司 | 2021-09-07 | — | — | CN | disclosed |
| WO-2016178064-A1 | POLYMORPH OF NINTEDANIB ETHANESULPHONATE, PROCESSES AND INTERMEDIATES THEREOF | SUVEN LIFE SCIENCES LIMITED (IN) | 2016-11-10 | — | — | WO | disclosed |