Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | AGXT | P21549 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6976968 | 0.78 | POLB (0.40) | TRPA1 | |
| SCHEMBL28264112 | 0.77 | HTR2A (0.51) | KDM4EHTR6HTR2A | |
| SCHEMBL6980470 | 0.74 | DAO (0.39) | KDM4ESMN1; SMN2TRPA1IDO1AGXT | |
| SCHEMBL6969672 | 0.74 | KDM4E (0.37) | KDM4ESMN1; SMN2SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL24152364 | 0.74 | KDM4E (0.47) | KDM4ESMN1; SMN2SLC6A4TRPA1IDO1 | |
| SCHEMBL8546581 | 0.70 | KDM4E (0.33) | KDM4ESMN1; SMN2SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL6978425 | 0.69 | CHRNB2 (0.42) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL6976719 | 0.68 | POLB (0.59) | — | |
| SCHEMBL9164263 | 0.68 | PTGS2 (0.48) | KDM4ESMN1; SMN2TRPA1IDO1AGXT | |
| SCHEMBL27608419 | 0.68 | TRPA1 (0.42) | KDM4ESMN1; SMN2SLC6A4SLC6A2SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0821674-B1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2003-08-06 | — | — | EP | claimed |