Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | BCAT2 | O15382 | 7/20 | 0.38 |
| ▸ | BCAT1 | P54687 | 7/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | ALPI | P09923 | 1/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 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 | |
|---|---|---|---|---|
| SCHEMBL7082848 | 0.81 | BCAT2 (0.38) | MEN1KMT2AALDH1A1BCAT2BCAT1 | |
| SCHEMBL8193399 | 0.79 | ALPL (0.39) | ALDH1A1BCAT2BCAT1ALPLALPI | |
| SCHEMBL8129698 | 0.79 | PDE7A (0.47) | MEN1KMT2AALDH1A1POLBGAA | |
| SCHEMBL7085889 | 0.72 | TRPV4 (0.37) | ALDH1A1BCAT2BCAT1ALPLALPI | |
| SCHEMBL7692441 | 0.71 | BCAT2 (0.39) | BCAT2BCAT1TRPV4 | |
| SCHEMBL8193759 | 0.71 | BCAT2 (0.40) | BCAT2BCAT1TRPV4 | |
| SCHEMBL5922790 | 0.69 | BCAT1 (0.67) | BCAT2BCAT1 | |
| SCHEMBL7499656 | 0.69 | BCAT2 (0.41) | BCAT2BCAT1TRPV4 | |
| SCHEMBL8927953 | 0.68 | BCAT2 (0.40) | BCAT2BCAT1TRPV4 | |
| SCHEMBL8190553 | 0.68 | AR (0.42) | ALDH1A1BCAT2BCAT1LMNATRPV4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6339044-B1 | USEFUL AS HERBICIDES AND INSECTICIDES | BAYER AKTIENGESELLSCHAFT | 2002-01-15 | — | — | US | disclosed |
| EP-0736014-A1 | N-CYANOARYL NITROGEN HETEROCYCLES WITH SULPHUR-CONTAINING GROUPINGS | BAYER AG (DE) | 1996-10-09 | — | — | EP | disclosed |
| WO-1995017391-A1 | N-CYANOARYL NITROGEN HETEROCYCLES WITH SULPHUR-CONTAINING GROUPINGS | BAYER AKTIENGESELLSCHAFT (DE) | 1995-06-29 | — | — | WO | disclosed |