Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.39 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.39 |
| ▸ | DTYMK | P23919 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALB | P02768 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18306112 | 0.87 | ALDH1A1 (0.42) | CES2CES1ALDH1A1TDP1CYP3A4 | |
| SCHEMBL4960492 | 0.87 | ALDH1A1 (0.42) | CES2CES1ALDH1A1TDP1CYP3A4 | |
| SCHEMBL28252852 | 0.81 | ALB (0.47) | ALDH1A1TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL28352668 | 0.81 | TSHR (0.45) | CES2CES1ALDH1A1TDP1CYP3A4 | |
| SCHEMBL21750002 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL27783720 | 0.81 | TSHR (0.49) | ALDH1A1TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL18225454 | 0.81 | ALDH1A1 (0.49) | ALDH1A1TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL30252887 | 0.81 | TDP1 (0.54) | CES2CES1ALDH1A1TDP1CYP3A4 | |
| SCHEMBL3086799 | 0.80 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL543918 | 0.80 | TSHR (0.51) | ALDH1A1TDP1CYP3A4ALOX15TSHR |
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-1507776-A1 | 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS | Amgen Inc. (US) | 2005-02-23 | — | — | EP | disclosed |
| WO-2003101985-A1 | 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS | AMGEN INC. (US) | 2003-12-11 | — | — | WO | disclosed |
| US-5003103-A | Decarboxylation, chlorodenitration, catalysis | OCCIDENTAL CHEMICAL CORPORATION (US) | 1991-03-26 | — | — | US | disclosed |