Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12371260 | 1.00 | MEN1 (0.50) | MEN1KMT2AHTR1ATSHRMAPK1 | |
| SCHEMBL10679639 | 1.00 | MEN1 (0.50) | MEN1KMT2AHTR1ATSHRMAPK1 | |
| SCHEMBL10077337 | 0.98 | MEN1 (0.48) | MEN1KMT2AHTR1ATSHRMAPK1 | |
| SCHEMBL1469605 | 0.98 | TSHR (0.48) | MEN1KMT2AHTR1ATSHRMAPK1 | |
| SCHEMBL4650639 | 0.95 | HRH3 (0.48) | MEN1KMT2AHTR1ATSHRMAPK1 | |
| SCHEMBL10509584 | 0.95 | HRH3 (0.48) | MEN1KMT2AHTR1ATSHRMAPK1 | |
| SCHEMBL31305373 | 0.91 | MEN1 (0.55) | MEN1KMT2AHTR1ATSHRMAPK1 | |
| SCHEMBL31305372 | 0.91 | MEN1 (0.55) | MEN1KMT2AHTR1ATSHRMAPK1 | |
| SCHEMBL22266158 | 0.90 | HRH3 (0.48) | HTR1AMAPK1SMN1; SMN2KDM4EHRH3 | |
| SCHEMBL12371264 | 0.89 | HRH3 (0.50) | MEN1KMT2AHTR1ATSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016020140-A2 | NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES | EVONIK DEGUSSA GMBH (DE) | 2016-02-11 | — | — | WO | disclosed |