Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 6/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.33 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.33 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.33 |
| ▸ | CMA1 | P23946 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | GPR68 | Q15743 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5799326 | 0.82 | FFAR1 (0.43) | DHFR | |
| SCHEMBL5773193 | 0.81 | DHFR (0.34) | DHFR | |
| SCHEMBL4691092 | 0.80 | DHFR (0.42) | DHFRPTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL5795879 | 0.79 | PARP1 (0.38) | DHFRPTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL5798079 | 0.76 | CDK2 (0.39) | DHFRALDH1A1HPGD | |
| SCHEMBL5797300 | 0.73 | POLB (0.43) | DHFRALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL5798083 | 0.72 | DHFR (0.36) | DHFRADORA2AHDAC6 | |
| SCHEMBL5798735 | 0.72 | DHFR (0.36) | DHFR | |
| SCHEMBL5795813 | 0.72 | PTPN1 (0.34) | ADORA2ACYP3A4KMT2A | |
| SCHEMBL5798382 | 0.71 | PIK3CG (0.41) | DHFRADORA2AHDAC6CYP3A4PIK3CD |
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 |