Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL14780442 | 0.87 | CES2 (0.56) | CES2LMNAMAPK1RAB9ANPSR1 | |
| SCHEMBL4173911 | 0.81 | CES2 (0.65) | CES2RAB9ANPSR1SRD5A2ALDH1A1 | |
| SCHEMBL7669249 | 0.81 | CES2 (0.56) | CES2LMNAMAPK1RAB9AMEN1 | |
| SCHEMBL7668976 | 0.78 | PARP1 (0.45) | LMNARAB9AMEN1KMT2APOLB | |
| SCHEMBL1149077 | 0.77 | CYP3A4 (0.55) | CES2LMNAMAPK1NPSR1ALDH1A1 | |
| SCHEMBL3176325 | 0.77 | CES2 (1.00) | CES2LMNANPSR1P2RX1SRD5A2 | |
| SCHEMBL7623521 | 0.76 | CES2 (0.71) | CES2LMNARAB9ANPSR1P2RX1 | |
| SCHEMBL14780526 | 0.76 | CES2 (0.48) | CES2LMNAMAPK1RAB9AP2RX1 | |
| SCHEMBL24370132 | 0.76 | CES2 (0.53) | CES2LMNARAB9ANPSR1SRD5A2 | |
| SCHEMBL7670781 | 0.76 | CES2 (0.61) | CES2MAPK1RAB9ANPSR1ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0975584-B1 | SYNTHESIS AND USE OF ALPHA-KETOAMIDE DERIVATIVES AND ARRAYS | ARQULE INC (US) | 2002-09-25 | — | — | EP | claimed |
| EP-0975584-A1 | SYNTHESIS AND USE OF $g(a)-KETOAMIDE DERIVATIVES AND ARRAYS | ARQULE, INC. (US) | 2000-02-02 | — | — | EP | claimed |
| WO-1998046559-A1 | SYNTHESIS AND USE OF α-KETOAMIDE DERIVATIVES AND ARRAYS | ARQULE, INC. (US) | 1998-10-22 | — | — | WO | claimed |
| US-6452050-B1 | MONOACYLATION OF SUCH AS 4-AMINOBENZYLAMINE WITH METHYL-2-(2-BENZOTHIENYL)-2-OXOETHANOATE TO PRODUCE POTENTIAL INHIBITORS OF PROTEOLYTIC ENZYMES, PARTICULARLY CYSTEINE PROTEASES | ARQULE, INC. | 2002-09-17 | — | — | US | disclosed |
| US-6143931-A | USEFUL IN DEVELOPING PHARMACEUTIC AGENTS FOR THE TREATMENT OF DISEASES (E.G., CHAGAS' DISEASE) | ARQULE, INC. (US) | 2000-11-07 | — | — | US | disclosed |