Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL9556472 | 0.88 | HTT (0.41) | HTTTP53ALDH1A1GAAL3MBTL1 | |
| SCHEMBL8722805 | 0.75 | L3MBTL1 (0.37) | HTTTP53ALDH1A1GAAL3MBTL1 | |
| SCHEMBL1781383 | 0.70 | L3MBTL1 (0.65) | HTTTP53ALDH1A1GAAL3MBTL1 | |
| SCHEMBL6311889 | 0.68 | ALDH1A1 (0.36) | TP53ALDH1A1THRBCYP1A2CYP2C9 | |
| SCHEMBL6308181 | 0.68 | TPMT (0.34) | ALDH1A1L3MBTL1THRBCYP1A2HPGD | |
| SCHEMBL16115685 | 0.68 | L3MBTL1 (0.50) | HTTTP53ALDH1A1GAAL3MBTL1 | |
| SCHEMBL12709974 | 0.67 | ALDH1A1 (0.48) | HTTTP53ALDH1A1GAAL3MBTL1 | |
| SCHEMBL10965940 | 0.67 | ALDH1A1 (0.38) | HTTALDH1A1THRBCYP1A2HPGD | |
| SCHEMBL77925 | 0.67 | ALDH1A1 (0.64) | HTTTP53ALDH1A1GAAKMT2A | |
| SCHEMBL25837924 | 0.67 | ALDH1A1 (0.64) | HTTTP53ALDH1A1GAAKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5236927-A | Reduced toxicity; side effect reduction | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1993-08-17 | — | — | US | disclosed |
| EP-0204529-B1 | ANTI-CANCER QUINAZOLINE DERIVATIVES | BTG INTERNATIONAL LIMITED (GB) | 1993-03-31 | — | — | EP | disclosed |
| EP-0204529-A2 | Anti-cancer quinazoline derivatives | BTG INTERNATIONAL LIMITED (GB) | 1986-12-10 | — | — | EP | disclosed |