Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 3/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 7/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | ACP1 | P24666 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 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 SCHEMBL4708368 | 0.95 | PTPN1 (0.35) | HSD11B1PTPN1SCN9ASCN5ABACE1 | |
| SCHEMBL4707892 | 0.92 | HSD11B1 (0.37) | HSD11B1PTPN1BACE1CYP1A2CYP2D6 | |
| SCHEMBL4708369 | 0.91 | GRIN1 (0.32) | HSD11B1PTPN1SCN9ASCN5A | |
| SCHEMBL4707308 | 0.90 | HSD11B1 (0.39) | HSD11B1PTPN1BACE1CYP1A2CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL4708401 | 0.88 | CRHR1 (0.35) | HSD11B1PTPN1SCN9ASCN5ACYP1A2 | |
| SCHEMBL4707366 | 0.87 | HSD11B1 (0.37) | HSD11B1PTPN1CYP1A2CYP2D6CLK4 | |
| SCHEMBL4705957 | 0.87 | CYP1A2 (0.42) | HSD11B1PTPN1SCN9ABACE1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL4708648 | 0.86 | PTPN1 (0.35) | HSD11B1PTPN1SCN9ASCN5ACYP1A2 | |
| Trifluoroacetic Acid SCHEMBL4708009 | 0.85 | PTPN1 (0.35) | HSD11B1PTPN1SCN9ASCN5ACYP1A2 | |
| Trifluoroacetic Acid SCHEMBL4707954 | 0.83 | CYP1A2 (0.40) | HSD11B1PTPN1SCN9ASCN5ACYP1A2 |
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 9 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 |
| 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 |