Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 3/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
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 SCHEMBL4708269 | 0.91 | PTPN1 (0.41) | PTPN1ADORA2ADHFRALDH1A1CYP1A2 | |
| SCHEMBL4707419 | 0.90 | PTPN1 (0.39) | PTPN1ADORA2AAPP | |
| SCHEMBL4692086 | 0.87 | DHFR (0.51) | ADORA2ADHFRALDH1A1SMN1; SMN2JAK2 | |
| SCHEMBL4707406 | 0.83 | ADORA2A (0.43) | ADORA2ADHFRALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL4707590 | 0.82 | PTPN1 (0.48) | PTPN1ALDH1A1CYP1A2CYP3A4HSD17B10 | |
| SCHEMBL4706514 | 0.81 | PTPN1 (0.38) | PTPN1ADORA2ADHFRAPP | |
| SCHEMBL4706916 | 0.80 | PDGFRB (0.33) | PTPN1DHFRAPPHSP90AA1 | |
| SCHEMBL4705709 | 0.79 | APP (0.33) | PTPN1DHFRAPPSLC2A1 | |
| SCHEMBL4705692 | 0.78 | ADORA2A (0.38) | ADORA2ADHFRALDH1A1HSD17B10TDP1 | |
| SCHEMBL4706881 | 0.78 | ADORA2A (0.41) | ADORA2ADHFRTDP1ADORA1 |
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 |