Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 10/20 | 0.56 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4688037 | 0.89 | DHFR (0.58) | DHFRSLC2A1MEN1ALDH1A1MAPT | |
| SCHEMBL4688095 | 0.86 | DCPS (0.50) | DHFRSLC2A1KCNH2DCPS | |
| SCHEMBL4688196 | 0.85 | DHFR (0.48) | DHFRSLC2A1DCPS | |
| SCHEMBL4692086 | 0.84 | DHFR (0.51) | DHFRSLC2A1ALDH1A1HPGDKCNH2 | |
| SCHEMBL4688000 | 0.82 | DHFR (0.50) | DHFRSLC2A1 | |
| SCHEMBL4688212 | 0.82 | DHFR (0.47) | DHFRSLC2A1 | |
| SCHEMBL4687978 | 0.82 | DHFR (0.57) | DHFRSLC2A1 | |
| SCHEMBL4687390 | 0.81 | DHFR (0.44) | DHFRSLC2A1DCPS | |
| SCHEMBL4688392 | 0.81 | DHFR (0.51) | DHFRSLC2A1MEN1KMT2A | |
| SCHEMBL4689696 | 0.80 | DHFR (0.50) | DHFRSLC2A1 |
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-1628979-B1 | DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-03-19 | — | — | EP | claimed |
| EP-1628979-B1 | DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-03-19 | — | — | EP | disclosed |