Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 6/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | PRKACA | P17612 | 1/20 | 0.33 |
| ▸ | PRKACG | P22612 | 1/20 | 0.33 |
| ▸ | PRKACB | P22694 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4691139 | 0.81 | DHFR (0.41) | POLBKDM4ESMN1; SMN2ALDH1A1HPGD | |
| Trifluoroacetic Acid SCHEMBL4694108 | 0.77 | POLB (0.38) | POLBKDM4ESMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL5773193 | 0.77 | DHFR (0.34) | DHFR | |
| SCHEMBL5796107 | 0.73 | DHFR (0.36) | ALDH1A1HPGDMEN1KMT2ADHFR | |
| SCHEMBL5794795 | 0.72 | DHFR (0.40) | DHFR | |
| SCHEMBL5798079 | 0.72 | CDK2 (0.39) | KDM4EALDH1A1HPGDHSD17B10DHFR | |
| SCHEMBL5798735 | 0.71 | DHFR (0.36) | DHFR | |
| SCHEMBL5798382 | 0.71 | PIK3CG (0.41) | DHFRCYP2D6CYP2C9SLC2A1 | |
| SCHEMBL5796211 | 0.71 | DHFR (0.35) | DHFR | |
| SCHEMBL5799326 | 0.70 | FFAR1 (0.43) | DHFRCYP2C9 |
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 2 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 | disclosed |
| WO-2004101568-A1 | DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-11-25 | — | — | WO | disclosed |