Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | SMARCA2 | P51531 | 2/20 | 0.39 |
| ▸ | SMARCA4 | P51532 | 2/20 | 0.39 |
| ▸ | PBRM1 | Q86U86 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL5952446 | 0.89 | PDE4A (0.52) | DHFRESR2ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL6572093 | 0.87 | PDE4A (0.50) | DHFRESR2ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL4830408 | 0.86 | ESR2 (0.60) | DHFRESR2ALDH1A1HSD17B10TSHR | |
| Hydrochloric Acid SCHEMBL6570955 | 0.85 | PDE4A (0.49) | DHFRESR2ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL6572246 | 0.79 | BACE1 (0.58) | DHFRESR2ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL656284 | 0.79 | ALDH1A1 (0.46) | DHFRESR2ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL28456459 | 0.79 | PGR (0.45) | DHFRALDH1A1HSD17B10CYP3A4TSHR | |
| SCHEMBL5547251 | 0.79 | ESR2 (0.58) | DHFRESR2ALDH1A1HSD17B10TSHR | |
| SCHEMBL4834991 | 0.78 | ESR2 (0.48) | DHFRESR2ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL25742905 | 0.78 | ESR2 (0.48) | DHFRESR2ALDH1A1MAPK1CYP2A6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1826121-B | Application of phenyl and pyridyl derivatives in preparation of drugs for regulating calcium ion release and activating calcium ion channels | SYNTA PHARMACEUTICALS CORP | 2013-05-29 | — | — | CN | claimed |
| CN-102793692-A | Compounds for inflammation and immune-related uses | SYNTA PHARMACEUTICALS CORP | 2012-11-28 | — | — | CN | claimed |
| CN-101947218-A | The method of modulating calcium ion-release-activated calcium ion channels | SYNTA PHARMACEUTICALS CORP | 2011-01-19 | — | — | CN | claimed |
| CN-1826121-A | Method for regulating and controlling calcium ion release to activate calcium ion channel | SYNTA PHARMACEUTICALS CORP (US) | 2006-08-30 | — | — | CN | claimed |
| CN-1826120-A | Compounds for inflammation and immune-related uses | SYNTA PHARMACEUTICALS CORP (US) | 2006-08-30 | — | — | CN | claimed |
| CN-102793692-A | Compounds for inflammation and immune-related uses | SYNTA PHARMACEUTICALS CORP | 2012-11-28 | — | — | CN | disclosed |
| CN-101947218-A | The method of modulating calcium ion-release-activated calcium ion channels | SYNTA PHARMACEUTICALS CORP | 2011-01-19 | — | — | CN | disclosed |
| CN-1826121-A | Method for regulating and controlling calcium ion release to activate calcium ion channel | SYNTA PHARMACEUTICALS CORP (US) | 2006-08-30 | — | — | CN | disclosed |
| CN-1826120-A | Compounds for inflammation and immune-related uses | SYNTA PHARMACEUTICALS CORP (US) | 2006-08-30 | — | — | CN | disclosed |