Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 10/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.31 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4708848 | 0.90 | CRHR1 (0.33) | DHFRHRH4TSHR | |
| SCHEMBL4688595 | 0.86 | DHFR (0.51) | DHFRSLC2A1 | |
| SCHEMBL4708302 | 0.82 | DHFR (0.35) | DHFR | |
| SCHEMBL4706514 | 0.82 | PTPN1 (0.38) | DHFRHRH4ADORA2A | |
| SCHEMBL4705962 | 0.81 | ADORA2A (0.38) | DHFRADORA2ACYP1A2MAPK1 | |
| SCHEMBL4706030 | 0.81 | ADORA2A (0.41) | DHFRHRH4ADORA2ATSHR | |
| SCHEMBL4705763 | 0.81 | TDP2 (0.36) | DHFR | |
| SCHEMBL4707406 | 0.81 | ADORA2A (0.43) | DHFRADORA2ACYP1A2CYP2D6TSHR | |
| SCHEMBL4705957 | 0.80 | CYP1A2 (0.42) | DHFRCYP1A2CYP2D6TSHRMAPK1 | |
| SCHEMBL4706910 | 0.80 | DHFR (0.40) | DHFR |
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-1633754-B1 | DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-06-11 | — | — | EP | claimed |
| EP-1633754-B1 | DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-06-11 | — | — | EP | disclosed |
| US-7226915-B2 | Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2007-06-05 | — | — | US | disclosed |
| US-7226915-B2 | Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2007-06-05 | — | — | US | disclosed |