Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 6/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | JAK1 | P23458 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | PRCP | P42785 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | G6PD | P11413 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 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 | |
|---|---|---|---|---|
| SCHEMBL1859872 | 0.88 | TSHR (0.35) | EPHX1NPSR1TSHRMAPTJAK1 | |
| SCHEMBL2050427 | 0.84 | — | — | |
| SCHEMBL8464579 | 0.84 | EPHX1 (0.46) | EPHX1NPSR1TSHRMAPTEPHX2 | |
| SCHEMBL1380088 | 0.80 | BTK (0.53) | EPHX1EPHX2 | |
| SCHEMBL3742508 | 0.80 | EPHX1 (0.41) | EPHX1SMN1; SMN2ALDH1A1 | |
| SCHEMBL868764 | 0.79 | EPHX1 (0.59) | EPHX1NPSR1MAPTEPHX2RAB9A | |
| SCHEMBL423315 | 0.79 | — | — | |
| SCHEMBL8851432 | 0.77 | EPHX1 (0.46) | EPHX1SMN1; SMN2ALDH1A1 | |
| SCHEMBL4592 | 0.77 | ATM (0.47) | EPHX1MAPTEPHX2RAB9ANPC1 | |
| SCHEMBL23735487 | 0.77 | EPHX2 (0.56) | EPHX1MAPTEPHX2RAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5618814-A | Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds | DR. KARL THOMAE GMBH (DE) | 1997-04-08 | — | — | US | disclosed |
| EP-0645390-A1 | Trisubstituted pyrimido 5,4-d pyrimidines for modulating multidrug resistance, drugs containing these compounds and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1995-03-29 | — | — | EP | disclosed |