Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTGIR | P43119 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL8566937 | 0.79 | MTR (0.44) | ALDH1A1POLBMAPTKMT2A | |
| SCHEMBL8567642 | 0.76 | DHFR (0.45) | ALDH1A1POLBMEN1MAPTKMT2A | |
| SCHEMBL8566885 | 0.74 | MTR (0.39) | ALDH1A1POLBMAPTKMT2A | |
| SCHEMBL8565167 | 0.74 | MTR (0.35) | ALDH1A1POLBMAPTKMT2A | |
| SCHEMBL8566814 | 0.66 | FOLR1 (0.39) | — | |
| SCHEMBL9226463 | 0.66 | DHFR (0.36) | ALDH1A1POLBMEN1MAPTKMT2A | |
| Benzoic Acid SCHEMBL28879223 | 0.62 | TSHR (0.67) | ALDH1A1POLBMAPTRECQLKMT2A | |
| SCHEMBL11400232 | 0.60 | ADRA2C (0.81) | ACHEADRA2CALDH1A1POLBMEN1 | |
| SCHEMBL7751510 | 0.59 | ADRA2C (0.69) | ACHEADRA2CALDH1A1POLBMEN1 | |
| SCHEMBL3152403 | 0.59 | ADRA2C (0.55) | ADRA2CALDH1A1MEN1KMT2APTGIR |
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-0530579-B1 | Condensed pyrimidine derivatives antitumor agents | EISAI CO LTD (JP) | 1998-11-11 | — | — | EP | disclosed |
| EP-0530579-A1 | Condensed pyrimidine derivatives antitumor agents | Eisai Co., Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |