Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | STAT1 | P42224 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | ESRRB | O95718 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22291069 | 0.84 | TMEM97 (0.46) | HRH3MAPTLMNAKMT2AMEN1 | |
| SCHEMBL22291101 | 0.80 | ALDH1A1 (0.45) | ALDH1A1PDK2TSHRHSD17B10ESRRB | |
| SCHEMBL22291198 | 0.78 | CDK8 (0.42) | ALDH1A1PDK2NPC1DRD4 | |
| SCHEMBL24399377 | 0.76 | ALDH1A1 (0.35) | ALDH1A1HRH3MAPTTSHRKMT2A | |
| SCHEMBL22291202 | 0.73 | CDK8 (0.50) | ALDH1A1HRH3MAPTHPGDRAB9A | |
| SCHEMBL30988055 | 0.73 | CDK8 (0.50) | ALDH1A1HRH3MAPTHPGDRAB9A | |
| SCHEMBL64400 | 0.72 | ALDH1A1 (0.57) | ALDH1A1AKR1C3MAPTNPC1LMNA | |
| SCHEMBL25417126 | 0.71 | ALDH1A1 (0.43) | ALDH1A1MAPTTSHRHSD17B10ESRRB | |
| SCHEMBL25415646 | 0.71 | SIGMAR1 (0.42) | ALDH1A1HRH3PDK2MAPTLMNA | |
| SCHEMBL18641154 | 0.70 | DRD2 (0.52) | ALDH1A1MAPTDRD4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113677341-B | Bicyclic pyridine compositions and methods for their use in cancer treatment | 南卡罗莱纳大学 | 2024-07-05 | — | — | CN | disclosed |
| CN-113677341-A | Bicyclic pyridine compositions and methods of use for cancer treatment | 南卡罗莱纳大学 | 2021-11-19 | — | — | CN | disclosed |