Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | GAA | P10253 | 2/20 | 0.64 |
| ▸ | APP | P05067 | 1/20 | 0.64 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.64 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Niacin SCHEMBL27932655 | 0.86 | ALDH1A1 (0.66) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL28014023 | 0.85 | ALDH1A1 (0.64) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL8168699 | 0.82 | ALDH1A1 (0.81) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Ethyl Nicotinate SCHEMBL27261943 | 0.81 | L3MBTL1 (0.69) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Isonicotinic Acid SCHEMBL28052062 | 0.81 | NAPRT (0.59) | ALDH1A1L3MBTL1MAPTLMNAKMT2A | |
| SCHEMBL27726304 | 0.81 | HCAR2 (0.59) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL28863183 | 0.80 | ALDH1A1 (0.78) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL27753119 | 0.80 | ALDH1A1 (0.78) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL31228985 | 0.80 | ALDH1A1 (0.78) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL28358718 | 0.80 | ALDH1A1 (0.84) | ALDH1A1GAAAPPHCAR3HCAR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109983014-A | Saltant type isocitric dehydrogenase inhibitor, composition and its method | 艾科生物科技有限公司 | 2019-07-05 | — | — | CN | disclosed |
| CN-101910168-B | Tropane compounds | EXELIXIS INC | 2014-07-30 | — | — | CN | disclosed |
| CN-101910168-A | Tropane compounds | EXELIXIS INC | 2010-12-08 | — | — | CN | disclosed |
| CN-1055925-A | Pyridine derivate and preparation method thereof | ICI PLC (GB) | 1991-11-06 | — | — | CN | disclosed |