Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 5/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | F12 | P00748 | 1/20 | 0.31 |
| ▸ | F7 | P08709 | 1/20 | 0.31 |
| ▸ | F3 | P13726 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27958383 | 0.76 | CYP3A4 (0.39) | CYP3A4TDP1ESR1ESR2CES2 | |
| SCHEMBL6935690 | 0.73 | ESR1 (0.42) | CYP3A4TDP1ESR1ESR2CES2 | |
| SCHEMBL28793515 | 0.73 | CYP3A4 (0.36) | CYP3A4TDP1ESR1ESR2CES2 | |
| SCHEMBL15901802 | 0.70 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2CES2 | |
| Benzene SCHEMBL28326432 | 0.68 | CES1 (0.53) | CYP3A4TDP1ESR1CES2CES1 | |
| SCHEMBL67982 | 0.68 | CES1 (0.53) | CYP3A4TDP1ESR1CES2CES1 | |
| SCHEMBL3476714 | 0.67 | CES1 (0.41) | CYP3A4TDP1ESR1ESR2CES2 | |
| SCHEMBL21788617 | 0.67 | CYP3A4 (0.39) | CYP3A4TDP1ESR1ESR2CES2 | |
| SCHEMBL1608946 | 0.67 | CES1 (0.48) | CYP3A4TDP1CES2CES1TSHR | |
| SCHEMBL6156002 | 0.66 | TDP1 (0.50) | CYP3A4TDP1ESR1ESR2CES2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0395144-B1 | A PROCESS FOR THE PREPARATION OF AROMATIC UREAS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-06-30 | — | — | EP | disclosed |
| EP-0395144-A1 | A process for the preparation of aromatic ureas | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1990-10-31 | — | — | EP | disclosed |
| EP-0393789-A1 | A process for the preparation of carbamates | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1990-10-24 | — | — | EP | disclosed |
| EP-0225673-B1 | PROCESS FOR THE PREPARATION OF ACYL UREAS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-10-25 | — | — | EP | disclosed |
| EP-0319111-A2 | Process for the preparation of phenyl ureas | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-06-07 | — | — | EP | disclosed |
| EP-0225673-A1 | Process for the preparation of acyl ureas | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1987-06-16 | — | — | EP | disclosed |
| EP-0086281-B1 | PREPARATION OF CARBAMATES USING A PALLADIUM-CONTAINING CATALYST | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1985-05-15 | — | — | EP | disclosed |
| US-4474978-A | Preparation of carbamates | SHELL OIL COMPANY (US) | 1984-10-02 | — | — | US | disclosed |
| EP-0086281-A1 | Preparation of carbamates using a palladium-containing catalyst | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-08-24 | — | — | EP | disclosed |