Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 3/20 | 0.47 |
| ▸ | CCND1 | P24385 | 3/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.42 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.42 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9421139 | 0.85 | CDK4 (0.53) | CDK4CCND1PTGER1PTGER3PTGER2 | |
| SCHEMBL9421131 | 0.85 | CDK4 (0.53) | CDK4CCND1PTGER1PTGER3PTGER2 | |
| SCHEMBL1478041 | 0.85 | CDK4 (0.53) | CDK4CCND1PTGER1PTGER3PTGER2 | |
| SCHEMBL9244314 | 0.83 | ALDH1A1 (0.48) | CDK4CCND1PTGS2PTGER1PTGER3 | |
| SCHEMBL9244312 | 0.83 | ALDH1A1 (0.48) | CDK4CCND1PTGS2PTGER1PTGER3 | |
| SCHEMBL5725728 | 0.82 | CDK4 (0.47) | CDK4CCND1PTGS2PTGS1PTGER1 | |
| SCHEMBL7935137 | 0.82 | CDK4 (0.47) | CDK4CCND1PTGER1PTGER3PTGER2 | |
| SCHEMBL7935139 | 0.82 | CDK4 (0.47) | CDK4CCND1PTGER1PTGER3PTGER2 | |
| SCHEMBL4378587 | 0.82 | CDK4 (0.56) | CDK4CCND1PTGER1PTGER3PTGER2 | |
| SCHEMBL387189 | 0.81 | XDH (0.51) | PTGS2PTGS1PTGER1PTGER3PTGER2 |
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-0802897-A1 | NOVEL COMPOUNDS | Smithkline Beecham S.p.A. (IT) | 1997-10-29 | — | — | EP | disclosed |
| WO-1996021638-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM S.P.A. (IT) | 1996-07-18 | — | — | WO | disclosed |
| EP-0613890-A1 | Novel triazole compound, process for preparing the same and antifungal agent containing the same | NIHON NOHYAKU CO., LTD. (JP) | 1994-09-07 | — | — | EP | disclosed |
| US-4804785-A | INTERMEDIATES FOR HYDROXYMETHYLOXIRANES | BASF AKTIENGESELLSCHAFT (DE) | 1989-02-14 | — | — | US | disclosed |
| US-4723042-A | REARRANGEMENT OF AN OXYKETONE USING A PHOSPHORUS COMPOUND | BASF AKTIENGESELLSCHAFT (DE) | 1988-02-02 | — | — | US | disclosed |