Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | PDE9A | O76083 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11796521 | 0.80 | FASN (0.36) | ALDH1A1HSD17B10ALOX15ADORA2AADORA1 | |
| SCHEMBL8013535 | 0.76 | LMNA (0.36) | ALDH1A1MAPTHTTLMNATTR | |
| SCHEMBL15757626 | 0.75 | LMNA (0.34) | ALDH1A1MAPTHTTLMNATTR | |
| SCHEMBL5182645 | 0.73 | CYP1A2 (0.38) | ALDH1A1ADORA2AADORA1MAPTHTT | |
| SCHEMBL8658969 | 0.73 | HTR1A (0.35) | ALDH1A1KDM4EMAPTTSHRHPGD | |
| SCHEMBL5321800 | 0.71 | TNF (0.34) | CYP11B1CYP11B2 | |
| SCHEMBL350376 | 0.70 | — | — | |
| SCHEMBL5664674 | 0.69 | L3MBTL1 (0.39) | ALDH1A1HSD17B10ALOX15ADORA2AADORA1 | |
| SCHEMBL9559560 | 0.69 | ACHE (0.36) | ADORA2AADORA1KDM4EMAPTHPGD | |
| SCHEMBL30998042 | 0.69 | HSD17B10 (0.45) | ALDH1A1HSD17B10ALOX15ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013116491-A1 | CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS AND METHODS FOR USING THEM | RIGEL PHARMACEUTICALS, INC. (US) | 2013-08-08 | — | — | WO | disclosed |
| EP-2598483-A1 | AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME | Rigel Pharmaceuticals, Inc. (US) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012016217-A1 | AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME | RIGEL PHARMACEUTICALS, INC. (US) | 2012-02-02 | — | — | WO | disclosed |