Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | ERN1 | O75460 | 3/20 | 0.37 |
| ▸ | CDK4 | P11802 | 4/20 | 0.33 |
| ▸ | CCND1 | P24385 | 4/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.33 |
| ▸ | CDK2 | P24941 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PRKACA | P17612 | 1/20 | 0.33 |
| ▸ | PRKACG | P22612 | 1/20 | 0.33 |
| ▸ | PRKACB | P22694 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.33 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9778975 | 0.75 | ERN1 (0.41) | ALDH1A1IMPDH2CYP2A6ERN1CDK4 | |
| SCHEMBL29935861 | 0.73 | CYP2A6 (0.41) | ALDH1A1IMPDH2CYP2A6ERN1TRIM24 | |
| SCHEMBL690926 | 0.73 | CYP2A6 (0.41) | ALDH1A1IMPDH2CYP2A6ERN1TRIM24 | |
| SCHEMBL984194 | 0.71 | KMT2A (0.50) | ALDH1A1IMPDH2CYP2A6ERN1GAA | |
| SCHEMBL2312217 | 0.69 | CYP2A6 (0.41) | ALDH1A1IMPDH2CYP2A6ERN1CDK4 | |
| SCHEMBL13561989 | 0.69 | ALDH1A1 (0.41) | ALDH1A1CYP2A6CDK4CCND1CCNE2 | |
| SCHEMBL14745727 | 0.69 | CYP2A6 (0.38) | ALDH1A1CYP2A6CDK4CCND1CCNE2 | |
| SCHEMBL652955 | 0.69 | LMNA (0.58) | ALDH1A1CYP2A6ERN1NPSR1GAA | |
| SCHEMBL29364404 | 0.69 | LMNA (0.58) | ALDH1A1CYP2A6ERN1NPSR1GAA | |
| SCHEMBL9779057 | 0.68 | ALDH1A1 (0.49) | ALDH1A1IMPDH2CYP2A6ERN1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4999369-A | Antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-03-12 | — | — | US | disclosed |
| EP-0246077-B1 | HETEROPOLYCYCLIC AROMATIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-11-22 | — | — | EP | disclosed |
| US-4910218-A | With a hydroxy containing secondary amine group | BURROUGHS WELLCOME CO. (US) | 1990-03-20 | — | — | US | disclosed |
| EP-0246077-A1 | Heteropolycyclic aromatic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1987-11-19 | — | — | EP | disclosed |