Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 4/20 | 0.58 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.56 |
| ▸ | MRGPRX4 | Q96LA9 | 4/20 | 0.55 |
| ▸ | HPD | P32754 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | CCR6 | P51684 | 1/20 | 0.53 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.52 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.52 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.51 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.51 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28642765 | 1.00 | PARP1 (0.59) | PARP1ALDH1A1MAOBFOLH1MRGPRX4 | |
| SCHEMBL1097135 | 0.89 | MAOB (0.62) | PARP1MAOBFOLH1MRGPRX4HPD | |
| SCHEMBL5840334 | 0.88 | ALDH1A1 (0.61) | PARP1ALDH1A1FOLH1KDM4EPTGER1 | |
| SCHEMBL29433417 | 0.84 | SGMS2 (0.66) | PARP1ALDH1A1FOLH1KDM4ELMNA | |
| SCHEMBL112903 | 0.84 | SGMS2 (0.66) | PARP1ALDH1A1FOLH1KDM4ELMNA | |
| SCHEMBL384896 | 0.83 | FOLH1 (0.68) | ALDH1A1FOLH1KDM4ELMNAPTGER1 | |
| Bicarbonate SCHEMBL29914194 | 0.82 | SGMS2 (0.64) | PARP1ALDH1A1FOLH1KDM4ELMNA | |
| Bicarbonate SCHEMBL21753662 | 0.82 | SGMS2 (0.64) | PARP1ALDH1A1FOLH1KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL8998291 | 0.82 | SGMS2 (0.64) | PARP1ALDH1A1FOLH1KDM4ELMNA | |
| Bicarbonate SCHEMBL236872 | 0.82 | SGMS2 (0.64) | PARP1ALDH1A1FOLH1KDM4ELMNA |
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-112812077-B | Benzamide compound, preparation method thereof, pharmaceutical composition and application | 中国科学院上海药物研究所 | 2023-08-22 | — | — | CN | disclosed |