Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ACP1 | P24666 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 7/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4710084 | 0.95 | GRIN2B (0.38) | CYP1A2CYP2D6CLK4CYP2C9CYP3A4 | |
| SCHEMBL4710085 | 0.88 | GRIN2B (0.38) | CYP1A2CYP2D6CLK4CYP2C9CYP3A4 | |
| SCHEMBL4688933 | 0.88 | SLC2A1 (0.40) | PTPN1SCN5ASCN9A | |
| SCHEMBL4705957 | 0.87 | CYP1A2 (0.42) | CYP1A2CYP2D6CLK4CYP2C9CYP3A4 | |
| SCHEMBL4705995 | 0.83 | PTPN1 (0.51) | CYP1A2CYP2D6CLK4CYP3A4TSHR | |
| Trifluoroacetic Acid SCHEMBL4707954 | 0.83 | CYP1A2 (0.40) | CYP1A2CYP2D6CLK4CYP2C9CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL4691388 | 0.83 | SCN5A (0.38) | GRIN2BGRIN1PTPN1SCN5ASCN9A | |
| SCHEMBL4707985 | 0.82 | HSD11B1 (0.37) | CYP1A2CYP2D6CLK4CYP2C9CYP3A4 | |
| SCHEMBL4705667 | 0.82 | PTPN1 (0.38) | CYP1A2CYP2D6CLK4CYP2C9GRIN2B | |
| Trifluoroacetic Acid SCHEMBL4706828 | 0.79 | PTPN1 (0.47) | CYP1A2CYP2D6CLK4CYP3A4TSHR |
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 10 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 |
| CN-100334088-C | Diaminopyrroloquinazoline compounds as protein tyrosine phosphatase inhibitors | HOFFMANN LA ROCHE CO LTD (CH) | 2007-08-29 | — | — | CN | claimed |
| CN-1791604-A | Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors | HOFFMANN LA ROCHE (CH) | 2006-06-21 | — | — | CN | claimed |
| EP-1633754-B1 | DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-06-11 | — | — | EP | disclosed |
| CN-100334088-C | Diaminopyrroloquinazoline compounds as protein tyrosine phosphatase inhibitors | HOFFMANN LA ROCHE CO LTD (CH) | 2007-08-29 | — | — | CN | 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 |
| CN-1791604-A | Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors | HOFFMANN LA ROCHE (CH) | 2006-06-21 | — | — | CN | disclosed |
| EP-1633754-A1 | DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004101569-A1 | DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-11-25 | — | — | WO | disclosed |