Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.33 |
| ▸ | TNKS | O95271 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3346134 | 0.83 | ACHE (0.35) | KDM4EALDH1A1GAAACHENPC1 | |
| SCHEMBL2012933 | 0.82 | ACHE (0.37) | KDM4EALDH1A1MGAMGAASI | |
| SCHEMBL11362602 | 0.82 | ALDH1A1 (0.38) | KDM4EALDH1A1ACHEHSD17B10TNKS2 | |
| SCHEMBL981110 | 0.81 | TSHR (0.39) | ALDH1A1ACHENPC1RAB9ATSHR | |
| SCHEMBL7733237 | 0.80 | CYP1A2 (0.38) | KDM4EALDH1A1MGAMGAASI | |
| SCHEMBL2431963 | 0.79 | ACHE (0.34) | KDM4EALDH1A1GAAACHENPC1 | |
| SCHEMBL2012944 | 0.79 | MGAM (0.42) | MGAMGAASIMGAM2ACHE | |
| SCHEMBL150096 | 0.79 | MAOB (0.32) | ACHENPC1RAB9A | |
| SCHEMBL2884608 | 0.78 | ACHE (0.42) | ALDH1A1ACHETSHR | |
| SCHEMBL5014600 | 0.78 | PTGS2 (0.39) | ALDH1A1NPC1RAB9AMAPK14PTGS1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013182433-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-12-12 | — | — | WO | disclosed |
| EP-2547687-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-01-23 | — | — | EP | disclosed |
| EP-2513067-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011113820-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2011-09-22 | — | — | WO | disclosed |
| WO-2011073145-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |
| CN-1860121-A | Substituted imidazopyrimidines for the prophylaxis and treatment of cancer | S A L V A T LAB SA (ES) | 2006-11-08 | — | — | CN | disclosed |
| EP-0948496-A2 | SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE | Amgen inc. (US) | 1999-10-13 | — | — | EP | disclosed |
| WO-1998024780-A2 | SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE | AMGEN INC. (US) | 1998-06-11 | — | — | WO | disclosed |