Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.39 |
| ▸ | MAPT | P10636 | 11/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.37 |
| ▸ | NOD2 | Q9HC29 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27976080 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MAPTHTTNPSR1LMNA | |
| SCHEMBL28668578 | 0.75 | L3MBTL1 (0.49) | ALDH1A1MAPTHTTLMNAPOLB | |
| SCHEMBL17541076 | 0.75 | PDGFRB (0.48) | ALDH1A1MAPTLMNAMAPK1POLB | |
| SCHEMBL7549178 | 0.67 | GPR35 (0.47) | ALDH1A1MAPTHTTLMNAALOX12 | |
| SCHEMBL27337635 | 0.67 | MAPT (0.43) | ALDH1A1MAPTHTTLMNAPOLB | |
| SCHEMBL843761 | 0.66 | ALDH1A1 (0.51) | ALDH1A1MAPTHTTLMNASMN1; SMN2 | |
| SCHEMBL30197179 | 0.66 | ALDH1A1 (0.51) | ALDH1A1MAPTHTTLMNASMN1; SMN2 | |
| SCHEMBL2739974 | 0.66 | PDGFRB (0.48) | ALDH1A1MAPTHTTMAPK1POLB | |
| SCHEMBL11723991 | 0.66 | MEN1 (0.43) | ALDH1A1MAPTLMNASMN1; SMN2POLB | |
| SCHEMBL18398201 | 0.66 | SMN1; SMN2 (0.45) | ALDH1A1MAPTHTTLMNASMN1; 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 |
|---|---|---|---|---|---|---|---|
| CN-109689647-A | The compound that bicyclic heteroaryl replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |