Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HRH1 | P35367 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11878714 | 1.00 | HTR2A (0.37) | HTR2AHRH1DRD3CHRM1AKR1A1 | |
| SCHEMBL19488728 | 1.00 | HTR2A (0.37) | HTR2AHRH1DRD3CHRM1AKR1A1 | |
| SCHEMBL13165156 | 0.86 | CA12 (0.39) | CA12CA2CA9ACE2 | |
| SCHEMBL2846897 | 0.85 | ACE2 (0.41) | CA2ACE2 | |
| SCHEMBL3878796 | 0.85 | ACE2 (0.41) | CA2ACE2 | |
| SCHEMBL16967370 | 0.85 | ACE2 (0.41) | CA2ACE2 | |
| SCHEMBL3260568 | 0.83 | ACE2 (0.40) | CA2ACE2 | |
| SCHEMBL7500724 | 0.83 | ACE2 (0.44) | TDP1ACE2 | |
| SCHEMBL7500730 | 0.83 | ACE2 (0.44) | TDP1ACE2 | |
| SCHEMBL7497648 | 0.83 | ACE2 (0.44) | TDP1ACE2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| EP-3686196-A1 | POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR | Hangzhou Innogate Pharma Co., Ltd. (CN) | 2020-07-29 | — | — | EP | disclosed |
| US-20170153545-A1 | PATTERN FORMING METHOD, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE | FUJIFILM CORPORATION (JP) | 2017-06-01 | — | — | US | disclosed |