Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | CCR6 | P51684 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | JAK1 | P23458 | 1/20 | 0.44 |
| ▸ | TYK2 | P29597 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | CCNK | O75909 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 2/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | MLNR | O43193 | 2/20 | 0.39 |
| ▸ | CHUK | O15111 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12733191 | 0.91 | CCR6 (0.49) | TRPA1EPHX1CCR6JAK2JAK1 | |
| SCHEMBL3475103 | 0.83 | CTSK (0.57) | TRPA1EPHX1CCR6CTSSCTSK | |
| SCHEMBL15739641 | 0.83 | CTSK (0.54) | TRPA1EPHX1CCR6JAK2JAK1 | |
| SCHEMBL3816119 | 0.82 | IRAK4 (0.51) | TRPA1EPHX1CCR6JAK2JAK1 | |
| SCHEMBL13450562 | 0.82 | CCR6 (0.47) | TRPA1EPHX1CCR6JAK2JAK1 | |
| SCHEMBL16480090 | 0.82 | CCR6 (0.47) | TRPA1EPHX1CCR6JAK2JAK1 | |
| SCHEMBL3477124 | 0.81 | CTSK (0.60) | TRPA1EPHX1CCR6CTSSCTSK | |
| SCHEMBL377685 | 0.80 | CTSS (0.48) | TRPA1EPHX1CCR6JAK2JAK1 | |
| Hydrochloric Acid SCHEMBL23302911 | 0.79 | CTSS (0.47) | TRPA1EPHX1CCR6JAK2JAK1 | |
| Hydrochloric Acid SCHEMBL383062 | 0.79 | CTSS (0.47) | TRPA1EPHX1CCR6JAK2JAK1 |
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-1150963-A1 | SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Aventis Pharma Deutschland GmbH (DE) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000046214-A1 | SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2000-08-10 | — | — | WO | disclosed |