Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | TOP2A | P11388 | 1/20 | 0.43 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | STAT3 | P40763 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23037281 | 0.94 | TOP2A (0.47) | ALDH1A1TSHRTOP2ATOP2BMAPK1 | |
| SCHEMBL9561861 | 0.84 | ADRB2 (0.43) | ALDH1A1TOP2ATOP2BKMT2AADRB2 | |
| SCHEMBL7844447 | 0.84 | STAT3 (0.48) | ALDH1A1TOP2ATOP2BKMT2AADRB2 | |
| SCHEMBL1345175 | 0.79 | STAT3 (0.44) | ALDH1A1TSHRTOP2ATOP2BMAPK1 | |
| SCHEMBL8096676 | 0.77 | TOP2A (0.47) | ALDH1A1TOP2ATOP2BKDM4EOPRM1 | |
| SCHEMBL9564487 | 0.77 | MEN1 (0.43) | ALDH1A1TOP2ATOP2BMAPK1KMT2A | |
| SCHEMBL7119198 | 0.75 | MAPT (0.47) | ALDH1A1KMT2AKDM4ESTAT3ALOX15 | |
| SCHEMBL7121568 | 0.74 | TOP2A (0.41) | ALDH1A1TOP2ATOP2BKMT2AKDM4E | |
| SCHEMBL9217647 | 0.73 | STAT3 (0.43) | ALDH1A1TSHRTOP2ATOP2BKMT2A | |
| SCHEMBL7474321 | 0.73 | ALDH1A1 (0.47) | ALDH1A1TSHRMAPK1KMT2AOPRM1 |
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-0793656-B1 | NOVEL BENZYL PYRIMIDINES | BASILEA PHARMACEUTICA AG (CH) | 2003-03-26 | — | — | EP | disclosed |
| US-5763450-A | BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES | HOFFMANN-LA ROCHE INC. (US) | 1998-06-09 | — | — | US | disclosed |