Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | COMT | P21964 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.33 |
| ▸ | GRN | P28799 | 1/20 | 0.33 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7119198 | 0.74 | MAPT (0.47) | ALDH1A1GAAKMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL7121568 | 0.73 | TOP2A (0.41) | ALDH1A1GAAL3MBTL1KMT2AKDM4E | |
| SCHEMBL12984605 | 0.71 | ALDH1A1 (0.63) | ALDH1A1TSHRGAANPSR1L3MBTL1 | |
| SCHEMBL9046545 | 0.70 | NOTUM (0.44) | ALDH1A1TSHRKMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL9046534 | 0.66 | NOTUM (0.41) | ALDH1A1TSHRKMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL9046000 | 0.65 | KDM4E (0.43) | ALDH1A1TSHRL3MBTL1KMT2AKDM4E | |
| SCHEMBL9044266 | 0.64 | TDP1 (0.44) | ALDH1A1TSHRL3MBTL1KMT2AKDM4E | |
| SCHEMBL8625288 | 0.64 | KDM4E (0.36) | ALDH1A1KDM4E | |
| SCHEMBL10668244 | 0.63 | KDM4E (0.32) | ALDH1A1KDM4E | |
| SCHEMBL10725210 | 0.63 | ALDH1A1 (0.34) | ALDH1A1GAAKDM4E |
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 4 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 |
| EP-0793656-A1 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-09-10 | — | — | EP | disclosed |
| WO-1996016046-A2 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1996-05-30 | — | — | WO | disclosed |