Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.48 |
| ▸ | MGMT | P16455 | 7/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | DCPS | Q96C86 | 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 | |
|---|---|---|---|---|
| SCHEMBL22400834 | 0.83 | MGMT (0.43) | DHFRMGMTCYP3A4ALDH1A1CLK1 | |
| SCHEMBL27451921 | 0.76 | BCHE (0.44) | CYP3A4ALDH1A1TSHRCLK1MAPT | |
| SCHEMBL3958101 | 0.74 | MGMT (0.47) | MGMTCYP3A4ALDH1A1TSHR | |
| SCHEMBL13183684 | 0.73 | ALDH1A1 (0.55) | CYP3A4ALDH1A1TSHRMAPTMEN1 | |
| SCHEMBL14060443 | 0.72 | MGMT (0.49) | DHFRMGMTMAPT | |
| SCHEMBL27612801 | 0.70 | PIK3CG (0.53) | MGMTALDH1A1TSHRHRH3CLK1 | |
| SCHEMBL978392 | 0.70 | CYP2D6 (0.58) | DHFRCYP3A4ALDH1A1TSHRHRH3 | |
| SCHEMBL17742495 | 0.70 | TSHR (0.59) | CYP3A4ALDH1A1TSHRMAPTMEN1 | |
| SCHEMBL9640554 | 0.70 | MGMT (0.49) | MGMTALDH1A1MAPTKMT2A | |
| SCHEMBL4052390 | 0.70 | ADORA2A (0.60) | DHFRADORA2A |
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-1590334-A1 | 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2005-11-02 | — | — | EP | claimed |
| WO-2004067516-A1 | 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2004-08-12 | — | — | WO | claimed |
| EP-3185858-A1 | COMPOSITIONS FOR MODULATING CANCER STEM CELLS AND USES THEREFOR | University of Canberra (AU) | 2017-07-05 | — | — | EP | disclosed |
| WO-2016029262-A1 | COMPOSITIONS FOR MODULATING CANCER STEM CELLS AND USES THEREFOR | UNIVERSITY OF CANBERRA (AU) | 2016-03-03 | — | — | WO | disclosed |