Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21062409 | 0.75 | HRH1 (0.43) | SLC6A4HTR2CHTR2AHTR1ASLC6A2 | |
| SCHEMBL14239400 | 0.74 | HRH1 (0.44) | HTR2CHRH1 | |
| SCHEMBL15491855 | 0.72 | DAO (0.42) | TP53PARP1SLC6A4SLC6A2HTR3A | |
| SCHEMBL4589677 | 0.71 | PARP1 (0.46) | TP53PARP1CYP2C19CDC7CDK2 | |
| Hydrochloric Acid SCHEMBL14645490 | 0.70 | HRH1 (0.38) | SLC6A4HTR2CHTR2AHTR1ASLC6A2 | |
| Hydrochloric Acid SCHEMBL27800371 | 0.67 | HTR2C (0.46) | PARP1SLC6A4HTR2CHTR2AHTR1A | |
| SCHEMBL14239490 | 0.66 | NR1H4 (0.46) | TP53SLC6A4HTR1ASLC6A2SLC6A3 | |
| SCHEMBL22689265 | 0.66 | PARP1 (0.45) | PARP1SLC6A4CYP2C19CDC7CDK2 | |
| SCHEMBL4063072 | 0.66 | HTR6 (0.51) | — | |
| SCHEMBL3715640 | 0.66 | DDB1 (0.53) | TP53SLC6A4HTR2CHTR2AHTR1A |
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-2012169649-A1 | INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2012-12-13 | — | — | WO | disclosed |