Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RYR2 | Q92736 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | MPO | P05164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28995817 | 0.78 | PARP10 (0.39) | HTR2AHTR2CHTR2B | |
| SCHEMBL6449465 | 0.75 | CA1 (0.48) | ALDH1A1MEN1KMT2AMAPTRAB9A | |
| SCHEMBL28995683 | 0.69 | PARP10 (0.37) | HTR2AHTR2CHTR2BALDH1A1MAPT | |
| SCHEMBL7777307 | 0.69 | ABL1 (0.50) | ALDH1A1RAB9AMAPK1CYP1A2CYP2D6 | |
| SCHEMBL14976736 | 0.67 | MEN1 (0.48) | RYR2HTR2AHTR2CHTR2BPDE3B | |
| SCHEMBL1134723 | 0.67 | CA1 (0.53) | ALDH1A1MEN1KMT2AMAPTRAB9A | |
| SCHEMBL30250475 | 0.67 | CA1 (0.53) | ALDH1A1MEN1KMT2AMAPTRAB9A | |
| SCHEMBL30610973 | 0.66 | HDAC3 (0.51) | MEN1KMT2AMAPTRAB9AMAPK1 | |
| SCHEMBL2722749 | 0.66 | PTPN1 (0.53) | ALDH1A1MEN1KMT2AMAPTRAB9A | |
| SCHEMBL14127541 | 0.66 | CA12 (0.62) | HTR2AHTR2CALDH1A1MEN1KMT2A |
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-116057047-A | Synthesis of heterocyclic compounds from carboxamides and carboxamide derivatives and haloalkanols | 夸祖鲁-纳塔尔大学 | 2023-05-02 | — | — | CN | disclosed |