Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | TACR2 | P21452 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28040393 | 0.94 | PTGS2 (0.39) | PTGS2CYP3A4GPR84ACHETDP1 | |
| SCHEMBL28040827 | 0.88 | — | — | |
| SCHEMBL27887356 | 0.87 | PTGS2 (0.38) | PTGS2CYP3A4GPR84ACHETDP1 | |
| SCHEMBL28040405 | 0.84 | PTGS2 (0.40) | PTGS2CYP3A4GPR84ACHETDP1 | |
| SCHEMBL27887396 | 0.82 | PTGS2 (0.38) | PTGS2CYP3A4GPR84ACHETDP1 | |
| SCHEMBL27953361 | 0.81 | CA2 (0.38) | PTGS2CYP3A4ACHEESR1ADRA2A | |
| SCHEMBL28040625 | 0.81 | PTGS2 (0.37) | PTGS2CYP3A4GPR84ACHETDP1 | |
| SCHEMBL28040813 | 0.81 | PTGS2 (0.37) | PTGS2CYP3A4GPR84TDP1L3MBTL1 | |
| SCHEMBL28040351 | 0.79 | — | — | |
| SCHEMBL27871081 | 0.79 | PTGS2 (0.38) | PTGS2CYP3A4GPR84ACHETDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102666561-B | Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement | SUMITOMO CHEMICAL CO.,LTD. (JP) | 2015-11-25 | — | — | CN | disclosed |