Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.32 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.31 |
| ▸ | TNF | P01375 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TDP2 | O95551 | 2/20 | 0.31 |
| ▸ | NSD2 | O96028 | 2/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.31 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL9728723 | 0.76 | TRIM24 (0.33) | CES1BCHETRIM24TRIM33ALDH1A1 | |
| SCHEMBL12094093 | 0.71 | HSP90AA1 (0.35) | KDM4EALDH1A1TDP1 | |
| SCHEMBL30848588 | 0.69 | KDM4E (0.33) | KDM4EALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL2779620 | 0.68 | GSK3A (0.39) | CES1CDC25BCYP19A1TNFMAOA | |
| SCHEMBL30482807 | 0.68 | GSK3A (0.39) | CES1CDC25BCYP19A1TNFMAOA | |
| SCHEMBL1650021 | 0.68 | KDM4E (0.40) | MAOAMAOBKDM4EALDH1A1MEN1 | |
| SCHEMBL13859949 | 0.68 | TSHR (0.35) | CDC25BCYP19A1TNFMAOAMAOB | |
| SCHEMBL30701903 | 0.67 | CES1 (0.39) | CES1CDC25BBCHEMAOAMAOB | |
| SCHEMBL4964849 | 0.67 | TRPA1 (0.32) | CES1ALDH1A1TDP2NSD2PAX8 | |
| Hydrochloric Acid SCHEMBL30306200 | 0.67 | KDM4E (0.39) | MAOAMAOBKDM4EALDH1A1MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0250179-A2 | BCD tricyclic ergoline part-structure analogues | ELI LILLY AND COMPANY (US) | 1987-12-23 | — | — | EP | claimed |
| US-5134143-A | Dopamine Agonists | ELI LILLY AND COMPANY (US) | 1992-07-28 | — | — | US | disclosed |
| US-4977160-A | DOPAMINE AGONISTS; PARKINSON*S DISEASE | ELI LILLY AND COMPANY (US) | 1990-12-11 | — | — | US | disclosed |
| US-4826986-A | DOPAMINE AGONISTS | ELI LILLY AND COMPANY (US) | 1989-05-02 | — | — | US | disclosed |
| EP-0250179-A2 | BCD tricyclic ergoline part-structure analogues | ELI LILLY AND COMPANY (US) | 1987-12-23 | — | — | EP | disclosed |