Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | AGER | Q15109 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | NAPRT | Q6XQN6 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | DHODH | Q02127 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | MYC | P01106 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| 2-Mercaptonicotinic Acid SCHEMBL261186 | 0.92 | KDM4E (0.63) | KDM4ETDP1ALDH1A1L3MBTL1MAPT | |
| 2-Mercaptonicotinic Acid SCHEMBL29382089 | 0.92 | KDM4E (0.63) | KDM4ETDP1ALDH1A1L3MBTL1MAPT | |
| 2-Mercaptonicotinic Acid SCHEMBL29105774 | 0.90 | KDM4E (0.61) | KDM4ETDP1ALDH1A1L3MBTL1MAPT | |
| 2-Mercaptonicotinic Acid SCHEMBL29181672 | 0.90 | KDM4E (0.61) | KDM4ETDP1ALDH1A1L3MBTL1MAPT | |
| 2-Mercaptonicotinic Acid SCHEMBL30605292 | 0.90 | KDM4E (0.61) | KDM4ETDP1ALDH1A1L3MBTL1MAPT | |
| 2-Mercaptonicotinic Acid SCHEMBL3070055 | 0.89 | KDM4E (0.59) | KDM4ETDP1ALDH1A1L3MBTL1MAPT | |
| 2-Mercaptonicotinic Acid SCHEMBL9065450 | 0.84 | NAPRT (0.55) | KDM4ETDP1ALDH1A1L3MBTL1MAPT | |
| 2-Mercaptonicotinic Acid SCHEMBL5741948 | 0.82 | KDM4E (0.52) | KDM4ETDP1ALDH1A1L3MBTL1MAPT | |
| Phthalic Acid SCHEMBL28010216 | 0.80 | ALDH1A1 (0.74) | KDM4EALDH1A1MAPTALOX15NAPRT | |
| SCHEMBL4620997 | 0.76 | KDM4E (0.47) | KDM4ETDP1ALDH1A1L3MBTL1MAPT |
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-112812098-A | Preparation method and medical application of unsaturated cyclic amine pyridine disulfide derivative | 北京沃邦医药科技有限公司 | 2021-05-18 | — | — | CN | disclosed |