Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.40 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | BCR | P11274 | 1/20 | 0.37 |
| ▸ | CETP | P11597 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29937655 | 0.87 | TRPV4 (0.58) | TRPV4CYP19A1P2RX7CNR1KDM4E | |
| SCHEMBL2129781 | 0.87 | TRPV4 (0.58) | TRPV4CYP19A1P2RX7CNR1KDM4E | |
| SCHEMBL24400761 | 0.76 | TRPV4 (0.47) | TRPV4CYP19A1CYP3A4CETPALDH1A1 | |
| Pyridine SCHEMBL4282004 | 0.75 | CYP2A6 (0.52) | CYP19A1CYP2C19SMN1; SMN2 | |
| Pyridine SCHEMBL3281552 | 0.75 | KDM1A (0.43) | TRPV4CYP3A4CNR1CYP2C9CYP2C19 | |
| Chlorobenzene SCHEMBL28734352 | 0.72 | L3MBTL1 (0.47) | CYP19A1CYP2C9KDM4EALDH1A1LMNA | |
| SCHEMBL21994683 | 0.71 | TRPV4 (0.39) | TRPV4CYP19A1CYP3A4CETPALDH1A1 | |
| SCHEMBL25886965 | 0.71 | NFE2L2 (0.41) | TRPV4CYP19A1CYP3A4CETPCYP2C9 | |
| SCHEMBL25012763 | 0.71 | TRPV4 (0.39) | TRPV4CYP19A1CYP3A4CETPHTT | |
| SCHEMBL25894823 | 0.71 | TRPV4 (0.39) | TRPV4CYP19A1CYP3A4CETPCYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3319943-A1 | NITROGENOUS HETEROCYCLES AS A PESTICIDE | Bayer CropScience Aktiengesellschaft (DE) | 2018-05-16 | — | — | EP | disclosed |