Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.50 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.46 |
| ▸ | CACNG8 | Q8WXS5 | 2/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.41 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.41 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21983115 | 0.87 | AHR (0.53) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL24191820 | 0.87 | AHR (0.53) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL24192217 | 0.87 | AHR (0.53) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL2611053 | 0.83 | AHR (0.56) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL25899777 | 0.81 | AHR (0.53) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL265219 | 0.81 | AHR (0.53) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL7038460 | 0.81 | AHR (0.57) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL26025060 | 0.80 | AHR (0.56) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL24192092 | 0.80 | AHR (0.49) | AHRGRIA1CACNG8PDE3BPDE3A | |
| SCHEMBL7037819 | 0.80 | AHR (0.49) | AHRGRIA1CACNG8PDE3BPDE3A |
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-2022011123-A1 | MACROCYCLES AND THEIR USE | BLOSSOMHILL THERAPEUTICS, INC. (US) | 2022-01-13 | — | — | WO | disclosed |