Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.38 |
| ▸ | RRM1 | P23921 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GRK2 | P25098 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7750386 | 1.00 | HTT (0.47) | HTTMAPTMAOBALDH1A1CYP3A4 | |
| Acetic Acid SCHEMBL914912 | 0.94 | HTT (0.43) | HTTMAPTMAOBALDH1A1CYP3A4 | |
| Acetic Acid SCHEMBL914913 | 0.94 | HTT (0.43) | HTTMAPTMAOBALDH1A1CYP3A4 | |
| SCHEMBL7750395 | 0.92 | HTT (0.46) | HTTMAPTMAOBALDH1A1SMN1; SMN2 | |
| SCHEMBL7750397 | 0.92 | HTT (0.46) | HTTMAPTMAOBALDH1A1SMN1; SMN2 | |
| SCHEMBL7748784 | 0.91 | HTT (0.44) | HTTMAPTMAOBALDH1A1SMN1; SMN2 | |
| SCHEMBL7748780 | 0.91 | HTT (0.44) | HTTMAPTMAOBALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL915348 | 0.89 | HTT (0.43) | HTTMAPTMAOBALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL915349 | 0.89 | HTT (0.43) | HTTMAPTMAOBALDH1A1SMN1; SMN2 | |
| SCHEMBL10921206 | 0.85 | HTT (0.44) | HTTMAPTMAOBALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001025192-A1 | GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE | MELACURE THERAPEUTICS AB (SE) | 2001-04-12 | — | — | WO | claimed |