Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.64 |
| ▸ | TSHR | P16473 | 3/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18533548 | 0.88 | TSHR (0.54) | CYP3A4TDP1TSHRALDH1A1ADRA2A | |
| SCHEMBL11322627 | 0.86 | GFER (0.64) | CYP3A4TDP1TSHRALDH1A1CYP19A1 | |
| SCHEMBL512004 | 0.85 | — | — | |
| SCHEMBL20251147 | 0.81 | MAPT (0.70) | CYP3A4TDP1TSHRALDH1A1CA12 | |
| SCHEMBL18826101 | 0.81 | MAPT (0.70) | CYP3A4TDP1TSHRALDH1A1CA12 | |
| SCHEMBL9611208 | 0.81 | MAPT (0.70) | CYP3A4TDP1TSHRALDH1A1CA12 | |
| SCHEMBL1304762 | 0.80 | CYP3A4 (1.00) | CYP3A4TDP1TSHRALDH1A1CA12 | |
| SCHEMBL3482770 | 0.80 | CYP3A4 (1.00) | CYP3A4TDP1TSHRALDH1A1CA12 | |
| SCHEMBL8094139 | 0.80 | CYP3A4 (1.00) | CYP3A4TDP1TSHRALDH1A1CA12 | |
| SCHEMBL6362775 | 0.80 | CYP3A4 (1.00) | CYP3A4TDP1TSHRALDH1A1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0000815-B1 | PROCESS FOR PREPARING N-ARYL OR N-ARALKYL SUBSTITUTED URETHANES | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1982-01-27 | — | — | EP | disclosed |
| US-4227008-A | CATALYTIC REACTION OF A NITRO-, NITROSO-, OR CARBAMATE-CONTAINING AROMATIC PRIMARY AMINE, AN ALCOHOL, AND CARBON MONOXIDE | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1980-10-07 | — | — | US | disclosed |
| EP-0000815-A1 | Process for preparing N-aryl or N-aralkyl substituted urethanes | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1979-02-21 | — | — | EP | disclosed |