Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 3/20 | 0.35 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28826006 | 0.75 | ALDH1A1 (0.46) | CYP3A4ALDH1A1TDP1MAPTKDM4E | |
| SCHEMBL4667393 | 0.73 | ALDH1A1 (0.44) | CYP3A4ALDH1A1TDP1MAPTKDM4E | |
| SCHEMBL381901 | 0.71 | ALDH1A1 (0.52) | CYP3A4ALDH1A1TDP1MAPTKDM4E | |
| SCHEMBL5804157 | 0.71 | TDP1 (0.41) | CYP3A4ALDH1A1TDP1MAPTKDM4E | |
| SCHEMBL3862553 | 0.71 | MAPT (0.39) | CYP3A4ALDH1A1TDP1MAPTKDM4E | |
| SCHEMBL28822336 | 0.71 | MASP2 (0.40) | CYP3A4ALDH1A1TDP1MAPTKDM4E | |
| SCHEMBL25238054 | 0.69 | ALDH1A1 (0.54) | CYP3A4ALDH1A1TDP1MAPTKDM4E | |
| SCHEMBL28009924 | 0.69 | ALDH1A1 (0.39) | CYP3A4ALDH1A1TDP1MAPTKDM4E | |
| Bicarbonate SCHEMBL10433540 | 0.69 | MAPT (0.61) | CYP3A4ALDH1A1TDP1MAPTKDM4E | |
| Bicarbonate SCHEMBL11010145 | 0.69 | MAPT (0.61) | CYP3A4ALDH1A1TDP1MAPTKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0000815-B1 | PROCESS FOR PREPARING N-ARYL OR N-ARALKYL SUBSTITUTED URETHANES | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1982-01-27 | — | — | EP | disclosed |