Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 5/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.38 |
| ▸ | ITGAV | P06756 | 3/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.38 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.38 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CFB | P00751 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11183992 | 0.95 | KMT2A (0.46) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL11088611 | 0.91 | LMNA (0.47) | KMT2ACA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL11179694 | 0.86 | ADRA2A (0.47) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL10972914 | 0.83 | ADRA2A (0.52) | KMT2AGRM5ITGB3ITGAVITGA2B | |
| SCHEMBL10976918 | 0.83 | GRM5 (0.41) | KMT2AGRM5ITGB3ITGAVITGA2B | |
| SCHEMBL11084581 | 0.83 | HTR1D (0.52) | KMT2AGRM5ITGB3ITGAVITGA2B | |
| SCHEMBL11086898 | 0.83 | GRM5 (0.41) | KMT2AGRM5ITGB3ITGAVITGA2B | |
| Hydrochloric Acid SCHEMBL10975432 | 0.82 | ADRA2A (0.54) | KMT2AGRM5ITGB3ITGAVITGA2B | |
| Hydrochloric Acid SCHEMBL11081805 | 0.81 | HTR1D (0.50) | KMT2AGRM5ITGB3ITGAVITGA2B | |
| SCHEMBL11082821 | 0.80 | RUVBL1 (0.47) | KMT2ACA1CA2ITGB3ITGAV |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4466966-A | N-aryl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ureas for intestinal disorders | MCNEILAB, INC. (US) | 1984-08-21 | — | — | US | disclosed |
| US-4285948-A | ADMINISTERING CARDIOTONIC AGENTS | MCNEILAB, INC. (US) | 1981-08-25 | — | — | US | disclosed |