Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TPMT | P51580 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | ADH7 | P40394 | 1/20 | 0.33 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.33 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| Iodobenzene SCHEMBL8815877 | 0.85 | TPMT (0.42) | ALDH1A1CYP2A6TDP1LMNAMEN1 | |
| Iodobenzene SCHEMBL10481785 | 0.83 | ALDH1A1 (0.43) | ALDH1A1CYP2A6TDP1LMNATPMT | |
| Iodobenzene SCHEMBL10538620 | 0.83 | ALDH1A1 (0.43) | ALDH1A1CYP2A6TDP1LMNATPMT | |
| Iodobenzene SCHEMBL1587 | 0.83 | — | — | |
| Iodobenzene SCHEMBL1331855 | 0.83 | — | — | |
| Iodobenzene SCHEMBL3628957 | 0.83 | — | — | |
| Iodobenzene SCHEMBL29242028 | 0.82 | ALDH1A1 (0.39) | ALDH1A1CYP2A6TDP1LMNAMEN1 | |
| Iodobenzene SCHEMBL10878191 | 0.79 | — | — | |
| Iodobenzene SCHEMBL18190267 | 0.79 | — | — | |
| Iodobenzene SCHEMBL22612499 | 0.79 | — | — |
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-1468232-A | Heterocyclic sodium/proton exchange inhibitors and method | ����˹�ж�-����˹˹������˾ | 2004-01-14 | — | — | CN | disclosed |