Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | KLK1 | P06870 | 1/20 | 0.40 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL4657734 | 0.89 | KDM1A (0.47) | ALDH1A1ROCK2MAPK1 | |
| SCHEMBL2380020 | 0.81 | ALDH1A1 (0.39) | HIF1AALDH1A1ROCK2PTPN1KLK1 | |
| SCHEMBL4018757 | 0.81 | NPSR1 (0.59) | ALDH1A1MAPTGAAHDAC1NPSR1 | |
| SCHEMBL5735467 | 0.78 | HIF1A (0.40) | HIF1AALDH1A1ROCK2PTPN1MAPT | |
| SCHEMBL5723907 | 0.76 | MTNR1A (0.56) | HIF1AALDH1A1ROCK2PTPN1NPSR1 | |
| SCHEMBL2379469 | 0.76 | HIF1A (0.39) | HIF1AALDH1A1ROCK2PTPN1MAPT | |
| SCHEMBL28872280 | 0.75 | HIF1A (0.54) | HIF1ACA12CA1CA2CA7 | |
| SCHEMBL16950132 | 0.75 | HIF1A (0.49) | HIF1ACA12CA1CA2CA4 | |
| SCHEMBL1186351 | 0.74 | ALDH1A1 (0.68) | CA2ALDH1A1MAPTGAAKDM4E | |
| SCHEMBL28872227 | 0.74 | HIF1A (0.49) | HIF1ACA12CA1CA2CA7 |
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-1917244-A2 | HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS | Abbott GmbH & Co. KG (DE) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007022964-A2 | HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS | ABBOTT GMBH & CO. KG (DE) | 2007-03-01 | — | — | WO | disclosed |