Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL24523749 | 0.85 | ENPP3 (0.39) | CA1CA2ENPP3KDM4EALDH1A1 | |
| SCHEMBL24523819 | 0.84 | ENPP3 (0.35) | CA1CA2ENPP3CDC7CDK2 | |
| SCHEMBL26261170 | 0.83 | HPRT1 (0.42) | CYP1A2CYP1A1CYP1B1ALDH1A1HPRT1 | |
| SCHEMBL24523720 | 0.82 | CA1 (0.39) | CA1CA2ENPP3PDPK1CYP1A2 | |
| SCHEMBL24523810 | 0.81 | PDPK1 (0.47) | CA1CA2ENPP3PDPK1CYP1A2 | |
| SCHEMBL24523829 | 0.80 | CA1 (0.43) | CA1CA2ENPP3PDPK1CYP1A2 | |
| SCHEMBL24523811 | 0.79 | ENPP3 (0.36) | CA1CA2ENPP3KDM4EALDH1A1 | |
| SCHEMBL24523773 | 0.78 | CA1 (0.40) | CA1CA2ENPP3PDPK1CYP1A2 | |
| SCHEMBL24523815 | 0.77 | G6PD (0.39) | CA1CA2ENPP3KDM4E | |
| SCHEMBL24523847 | 0.77 | CA1 (0.40) | CA1CA2ENPP3KDM4EALDH1A1 |
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-2022129116-A1 | INDOLO[3.2.1-JK]CARBAZOLE-6-CARBONITRILE DERIVATIVES AS BLUE FLUORESCENT EMITTERS FOR USE IN OLEDS | MERCK PATENT GMBH (DE) | 2022-06-23 | — | — | WO | disclosed |