Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KHK | P50053 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | WNT1 | P04628 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18380885 | 0.79 | PKM (0.58) | PKMALDH1A1AGTR2EPHX1MEN1 | |
| SCHEMBL11422598 | 0.79 | PKM (0.58) | PKMALDH1A1AGTR2EPHX1MEN1 | |
| SCHEMBL18388053 | 0.79 | PKM (0.58) | PKMALDH1A1AGTR2EPHX1MEN1 | |
| SCHEMBL15559200 | 0.77 | SLC6A2 (0.41) | PKMKHKCYP2D6CDK2ROCK2 | |
| SCHEMBL10537868 | 0.76 | PKM (0.69) | PKMALDH1A1HSD17B10AGTR2EPHX1 | |
| SCHEMBL83675 | 0.76 | CDK2 (0.38) | PKMCYP1A2USP2KHKCHRM2 | |
| SCHEMBL20556166 | 0.75 | PKM (0.49) | PKMKHKCHRM2CHRM1CHRM3 | |
| SCHEMBL4919525 | 0.75 | EPHX1 (0.44) | CHRM2CHRM1CHRM3EPHX1 | |
| SCHEMBL10071978 | 0.75 | PKM (0.73) | PKMCHRM2CHRM1CHRM3EPHX1 | |
| SCHEMBL9547523 | 0.74 | PKM (0.71) | PKMALDH1A1HSD17B10EPHX1MEN1 |
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-2252296-A1 | 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | Wyeth LLC (US) | 2010-11-24 | — | — | EP | disclosed |
| WO-2009091788-A1 | 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | WYETH (US) | 2009-07-23 | — | — | WO | disclosed |