Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PNP | P00491 | 5/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16079874 | 0.79 | — | — | |
| SCHEMBL29289347 | 0.74 | PARP1 (0.39) | BCL2MCL1ALDH1A1PARP1SMN1; SMN2 | |
| SCHEMBL8426937 | 0.72 | KDM4E (0.30) | ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL18838194 | 0.71 | PARP1 (0.42) | BCL2MCL1ALDH1A1PARP1SMN1; SMN2 | |
| SCHEMBL13348706 | 0.71 | — | — | |
| SCHEMBL13348604 | 0.68 | — | — | |
| SCHEMBL28267847 | 0.67 | PARP1 (0.32) | PARP1 | |
| SCHEMBL24161202 | 0.66 | — | — | |
| SCHEMBL12138872 | 0.66 | — | — | |
| SCHEMBL2787049 | 0.65 | ALDH1A1 (0.32) | ALDH1A1SMN1; SMN2ADRA1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110214142-A | It can be used as four ring heterocyclic compounds of hiv integrase inhibitor | 默沙东公司 | 2019-09-06 | — | — | CN | disclosed |
| CN-110062627-A | Tricyclic heterocyclic compounds useful as HIV integrase inhibitors | 默沙东公司 | 2019-07-26 | — | — | CN | disclosed |