Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 15/20 | 0.43 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5798079 | 0.91 | CDK2 (0.39) | FFAR1PAX8DHFR | |
| SCHEMBL5798382 | 0.82 | PIK3CG (0.41) | CYP2C9DHFR | |
| SCHEMBL5798083 | 0.82 | DHFR (0.36) | PAX8DHFR | |
| SCHEMBL5796107 | 0.82 | DHFR (0.36) | DHFR | |
| SCHEMBL4688624 | 0.81 | FFAR1 (0.40) | FFAR1PIM2PAX8PLA2G10CYP2C9 | |
| SCHEMBL5797574 | 0.81 | FFAR1 (0.43) | FFAR1PLA2G10DHFR | |
| SCHEMBL5798453 | 0.80 | MAP4K4 (0.40) | — | |
| SCHEMBL5796211 | 0.76 | DHFR (0.35) | DHFR | |
| SCHEMBL5794795 | 0.75 | DHFR (0.40) | DHFR | |
| SCHEMBL5773193 | 0.72 | DHFR (0.34) | PIM2DHFR |
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-1628979-A1 | DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-01 | — | — | EP | claimed |
| WO-2004101568-A1 | DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-11-25 | — | — | WO | claimed |
| EP-1628979-A1 | DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-01 | — | — | EP | disclosed |
| WO-2004101568-A1 | DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-11-25 | — | — | WO | disclosed |