Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CD44 | P16070 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23604396 | 0.81 | CYP3A4 (0.43) | CYP3A4ALDH1A1TDP1TSHRPOLB | |
| SCHEMBL10603666 | 0.80 | ALDH1A1 (0.43) | CYP3A4ALDH1A1TDP1TSHRPOLB | |
| SCHEMBL3884369 | 0.79 | CYP3A4 (0.50) | CYP3A4ALDH1A1TDP1TSHRPOLB | |
| SCHEMBL10798531 | 0.77 | CYP3A4 (0.46) | CYP3A4ALDH1A1TDP1TSHRPOLB | |
| SCHEMBL4448667 | 0.75 | ALDH1A1 (0.36) | CYP3A4ALDH1A1 | |
| SCHEMBL10990892 | 0.75 | TSHR (0.39) | CYP3A4ALDH1A1TDP1TSHRPOLB | |
| SCHEMBL10990726 | 0.75 | ALDH1A1 (0.36) | CYP3A4ALDH1A1TDP1TSHRPOLB | |
| SCHEMBL31569267 | 0.75 | CYP3A4 (0.46) | CYP3A4ALDH1A1TDP1TSHRPOLB | |
| SCHEMBL3671149 | 0.75 | CYP3A4 (0.46) | CYP3A4ALDH1A1TDP1TSHRPOLB | |
| SCHEMBL29702059 | 0.75 | ALDH1A1 (0.37) | CYP3A4ALDH1A1TSHRMEN1KMT2A |
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-1155012-B1 | ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES | CANCER REC TECH LTD (GB) | 2004-04-14 | — | — | EP | disclosed |
| US-6699861-B1 | ANTI-CANCER | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2004-03-02 | — | — | US | disclosed |
| EP-1155012-A1 | ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES | Cancer Research Ventures Limited (GB) | 2001-11-21 | — | — | EP | disclosed |
| WO-2000050417-A1 | ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES | CANCER RESEARCH VENTURES LIMITED (GB) | 2000-08-31 | — | — | WO | disclosed |