Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3726477 | 0.83 | DHODH (0.59) | CES2PTGS1LMNAGAA | |
| Acetic Acid SCHEMBL10340449 | 0.83 | CES2 (0.62) | CES2MEN1KMT2ANPSR1SRD5A2 | |
| SCHEMBL27621589 | 0.82 | CES2 (0.71) | CES2NPSR1SRD5A2POLBPTGS1 | |
| SCHEMBL39834 | 0.82 | CES2 (0.71) | CES2MEN1KMT2ANPSR1SRD5A2 | |
| SCHEMBL30093723 | 0.82 | CES2 (0.71) | CES2MEN1KMT2ANPSR1SRD5A2 | |
| SCHEMBL171684 | 0.82 | CES2 (0.71) | CES2NPSR1SRD5A2POLBPTGS1 | |
| Hydrochloric Acid SCHEMBL4372373 | 0.80 | CES2 (0.69) | CES2NPSR1SRD5A2POLBPTGS1 | |
| Water SCHEMBL28050254 | 0.80 | CES2 (0.69) | CES2NPSR1SRD5A2POLBPTGS1 | |
| Benzene SCHEMBL28007804 | 0.80 | CES2 (0.69) | CES2KMT2ANPSR1SRD5A2POLB | |
| Hydrochloric Acid SCHEMBL1267321 | 0.80 | CES2 (0.69) | CES2NPSR1SRD5A2POLBPTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2408754-A1 | Triazole derivatives as vasopressin-receptor inhibitors for treating cardiac insufficiency | Bayer Pharma Aktiengesellschaft (DE) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010105750-A1 | TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-09-23 | — | — | WO | disclosed |