Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.38 |
| ▸ | PGR | P06401 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11079140 | 0.84 | MEN1 (0.51) | MEN1KMT2ACYP19A1CYP3A4ADORA3 | |
| SCHEMBL3984360 | 0.77 | CYP19A1 (0.58) | MEN1KMT2ATDP1CYP19A1ADRA2C | |
| SCHEMBL11239483 | 0.73 | CYP19A1 (0.51) | MEN1KMT2ATDP1CYP19A1ADRA2C | |
| Hydrochloric Acid SCHEMBL11176357 | 0.72 | CYP19A1 (0.58) | MEN1KMT2ATDP1CYP19A1ADRA2C | |
| SCHEMBL28226515 | 0.72 | CYP19A1 (0.50) | MEN1KMT2ATDP1CYP19A1ADRA2C | |
| SCHEMBL29934164 | 0.70 | MEN1 (1.00) | MEN1KMT2ATDP1CYP19A1CYP3A4 | |
| SCHEMBL21654 | 0.70 | MEN1 (1.00) | MEN1KMT2ATDP1CYP19A1CYP3A4 | |
| SCHEMBL11489337 | 0.70 | MEN1 (1.00) | MEN1KMT2ATDP1CYP19A1CYP3A4 | |
| SCHEMBL11270467 | 0.70 | CYP19A1 (0.47) | MEN1KMT2ATDP1CYP19A1CYP3A4 | |
| SCHEMBL10973298 | 0.69 | CYP19A1 (0.58) | MEN1KMT2ATDP1CYP19A1ADRA2C |
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-0125409-A2 | 4-Azolyl-pentanenitriles, process for their preparation and biocides containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1984-11-21 | — | — | EP | disclosed |