Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 3/20 | 0.40 |
| ▸ | SLC9A1 | P19634 | 3/20 | 0.40 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.39 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15380745 | 0.79 | PARP1 (0.46) | PARP1BACE1NUDT1DYRK1B | |
| SCHEMBL20557308 | 0.72 | MAOA (0.46) | KDM4EPARP1DYRK3CCNT1CCNA2 | |
| SCHEMBL31460477 | 0.71 | PCSK9 (0.41) | KDM4EKDRBACE1NUDT1DYRK1A | |
| SCHEMBL22032554 | 0.69 | KDM4E (0.42) | KDM4EEGLN2NPC1RAB9A | |
| SCHEMBL7286981 | 0.69 | MAPK1 (0.45) | KDM4EIDO1DYRK3CCNT1CCNA2 | |
| SCHEMBL5525530 | 0.68 | CA2 (0.46) | IKBKB | |
| Urea SCHEMBL29193198 | 0.68 | PARP1 (0.67) | PARP1HTR1AHTR2AHTR7HTR6 | |
| SCHEMBL5479593 | 0.67 | PARP1 (0.78) | PARP1IKBKBNPC1RAB9ACHUK | |
| SCHEMBL20557642 | 0.67 | CNR1 (0.52) | — | |
| Carbamic Acid SCHEMBL8861730 | 0.66 | PARP1 (0.64) | PARP1HTR1AHTR2AHTR7HTR6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1542999-A1 | 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY | Pharmacia & Upjohn Company LLC (US) | 2005-06-22 | — | — | EP | claimed |
| WO-2004013137-A1 | 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-02-12 | — | — | WO | claimed |