Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKLR | P30613 | 2/20 | 0.38 |
| ▸ | TTR | P02766 | 2/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.36 |
| ▸ | COMT | P21964 | 1/20 | 0.36 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | IDE | P14735 | 1/20 | 0.34 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.34 |
| ▸ | CCR6 | P51684 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20837055 | 0.82 | EPHB4 (0.42) | PKLRPIN1EPHB4ALDH1A1MEN1 | |
| SCHEMBL984268 | 0.73 | PIN1 (0.52) | PIN1ALDH1A1ALOX15BLMNR4A2 | |
| SCHEMBL6390852 | 0.71 | TTR (0.37) | TTRCOMTALDH1A1HSD17B10CYP1A2 | |
| Hydrochloric Acid SCHEMBL27928599 | 0.71 | PIN1 (0.51) | PIN1ALDH1A1ALOX15BLMNR4A2 | |
| Hydrochloric Acid SCHEMBL27755478 | 0.71 | PIN1 (0.51) | PIN1ALDH1A1ALOX15BLMNR4A2 | |
| SCHEMBL27755564 | 0.71 | PIN1 (0.51) | PIN1ALDH1A1ALOX15BLMNR4A2 | |
| SCHEMBL2005830 | 0.71 | PIN1 (0.40) | PKLRPIN1EPHB4ALDH1A1MEN1 | |
| SCHEMBL288688 | 0.71 | ELANE (0.43) | PIN1EPHB4ALDH1A1CYP1A2CA1 | |
| SCHEMBL646093 | 0.71 | ALDH1A1 (0.42) | PIN1COMTALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL28007491 | 0.70 | PIN1 (0.47) | PIN1ALDH1A1MEN1KMT2ANR4A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008124524-A2 | ARYL SULFONAMIDE COMPOUNDS AS MODULATORS OF THE CCK2 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-10-16 | — | — | WO | claimed |
| WO-2008124524-A2 | ARYL SULFONAMIDE COMPOUNDS AS MODULATORS OF THE CCK2 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-10-16 | — | — | WO | disclosed |