Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | ARG1 | P05089 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
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 SCHEMBL9459267 | 0.99 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2KDM4EHTTKMT2A | |
| Hydrochloric Acid SCHEMBL9459558 | 0.88 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2KDM4EHTTKMT2A | |
| SCHEMBL26488900 | 0.79 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2KDM4EHTTKMT2A | |
| Hydrochloric Acid SCHEMBL3122278 | 0.78 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2KDM4EHTTKMT2A | |
| SCHEMBL25009512 | 0.78 | ALDH1A1 (0.80) | ALDH1A1SMN1; SMN2KDM4EHTTKMT2A | |
| SCHEMBL9856942 | 0.76 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2KDM4EHTTKMT2A | |
| SCHEMBL8540879 | 0.76 | ALDH1A1 (0.77) | ALDH1A1SMN1; SMN2KDM4EHTTKMT2A | |
| SCHEMBL32685227 | 0.76 | ALDH1A1 (0.77) | ALDH1A1SMN1; SMN2KDM4EHTTKMT2A | |
| SCHEMBL25010694 | 0.76 | ALDH1A1 (0.77) | ALDH1A1SMN1; SMN2KDM4EHTTKMT2A | |
| Bicarbonate SCHEMBL22832269 | 0.75 | ALDH1A1 (0.83) | ALDH1A1SMN1; SMN2KDM4EHTTKMT2A |
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-0473626-A1 | NEW DIPHOSPHONIC ACID DERIVATIVES, PROCESS FOR PRODUCING THEM AND DRUGS CONTAINING THEM. | BOEHRINGER MANNHEIM GMBH (DE) | 1992-03-11 | — | — | EP | disclosed |