Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11696975 | 0.81 | ALDH1A1 (0.48) | KCNN4ALDH1A1HIF1ACYP1A2TRPA1 | |
| SCHEMBL4644502 | 0.80 | KCNN4 (0.44) | KCNN4ALDH1A1HIF1ACYP1A2TRPA1 | |
| SCHEMBL11598693 | 0.80 | HDAC1 (0.42) | KCNN4CYP1A2MAPTCES1 | |
| SCHEMBL14342915 | 0.79 | KCNN4 (0.47) | KCNN4ALDH1A1HIF1ACYP1A2NPSR1 | |
| SCHEMBL29679704 | 0.79 | KCNN4 (0.47) | KCNN4HIF1ACYP1A2MAPK1NPSR1 | |
| SCHEMBL13868873 | 0.79 | KCNN4 (0.47) | KCNN4ALDH1A1HIF1ACYP1A2NPSR1 | |
| SCHEMBL13865461 | 0.79 | KCNN4 (0.47) | KCNN4ALDH1A1HIF1ACYP1A2GSK3B | |
| SCHEMBL13828216 | 0.79 | OPRM1 (0.55) | KCNN4HIF1ACYP1A2NPSR1CYP2C19 | |
| Hydrochloric Acid SCHEMBL1251198 | 0.77 | KCNN4 (0.45) | KCNN4ALDH1A1HIF1ACYP1A2NPSR1 | |
| SCHEMBL28393908 | 0.77 | CES1 (0.61) | KCNN4ALDH1A1CYP1A2MAPK1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5532228-A | ANTITUMOR, PSORIASIS | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-07-02 | — | — | US | disclosed |