Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 5/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL89465 | 0.95 | EPHX1 (0.44) | HCRTR2TDP1EPHX1MEN1KMT2A | |
| SCHEMBL15497076 | 0.93 | HCRTR2 (0.44) | HCRTR2TDP1EPHX1MEN1KMT2A | |
| SCHEMBL2348782 | 0.85 | HCRTR2 (0.40) | HCRTR2TDP1EPHX1MEN1KMT2A | |
| SCHEMBL12905008 | 0.85 | HCRTR2 (0.40) | HCRTR2TDP1EPHX1MEN1KMT2A | |
| SCHEMBL25568141 | 0.83 | HCRTR2 (0.42) | HCRTR2TDP1EPHX1MEN1KMT2A | |
| SCHEMBL25568142 | 0.83 | HCRTR2 (0.42) | HCRTR2TDP1EPHX1MEN1KMT2A | |
| SCHEMBL12905007 | 0.83 | HCRTR2 (0.39) | HCRTR2TDP1EPHX1MEN1KMT2A | |
| SCHEMBL928106 | 0.83 | HCRTR2 (0.39) | HCRTR2TDP1EPHX1MEN1KMT2A | |
| SCHEMBL9494371 | 0.83 | DRD2 (0.44) | HCRTR2TDP1MEN1KMT2AGAA | |
| SCHEMBL25357699 | 0.83 | HCRTR2 (0.42) | HCRTR2TDP1EPHX1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-112442029-A | Tetrahydropyrido [3,4-d ] pyrimidine derivative and application thereof in medicine | 四川海思科制药有限公司 | 2021-03-05 | — | — | CN | disclosed |