Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.35 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6573160 | 0.87 | TRPV4 (0.36) | KHKTRPV4PTPN1 | |
| SCHEMBL8281087 | 0.78 | KHK (0.40) | KHKTRPV4KMT2A | |
| SCHEMBL21048901 | 0.74 | PTGS2 (0.36) | PTPN1MEN1KMT2A | |
| SCHEMBL6573215 | 0.72 | PGR (0.36) | KHKTRPV4 | |
| SCHEMBL13660126 | 0.71 | KHK (0.48) | KHKTRPV4MEN1KMT2A | |
| SCHEMBL6573169 | 0.71 | TRPV4 (0.34) | KHKTRPV4 | |
| SCHEMBL6661759 | 0.69 | KHK (0.47) | KHKTRPV4MEN1KMT2A | |
| SCHEMBL332547 | 0.69 | TRPV4 (0.56) | KHKTRPV4MEN1KMT2A | |
| SCHEMBL17258804 | 0.69 | HCRTR1 (0.40) | CA1CA2CA9 | |
| SCHEMBL1627549 | 0.69 | PTPN1 (0.36) | PTPN1CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-6395683-B1 | CHEMICAL INTERMEDIATE FOR HERBICIDES; APPLYING TO PLANTS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-28 | — | — | US | disclosed |
| EP-0757673-B1 | HETEROCYCLYLBENZONITRILES | BAYER AG (DE) | 2001-10-04 | — | — | EP | disclosed |
| US-5858925-A | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-01-12 | — | — | US | disclosed |
| EP-0757673-A1 | HETEROCYCLYLBENZONITRILES | BAYER AG (DE) | 1997-02-12 | — | — | EP | disclosed |
| WO-1995029158-A1 | HETEROCYCLYLBENZONITRILES | BAYER AKTIENGESELLSCHAFT (DE) | 1995-11-02 | — | — | WO | disclosed |