Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL124582 | 0.84 | NPSR1 (0.46) | NPSR1ALDH1A1HTTKMT2ANPC1 | |
| SCHEMBL9743711 | 0.84 | NPSR1 (0.46) | NPSR1ALDH1A1HTTKMT2ANPC1 | |
| Hydrochloric Acid SCHEMBL9194071 | 0.82 | NPSR1 (0.44) | NPSR1ALDH1A1HTTKMT2ANPC1 | |
| SCHEMBL5247275 | 0.80 | NPSR1 (0.43) | NPSR1ALDH1A1HTTKMT2ANPC1 | |
| SCHEMBL29602588 | 0.80 | ALDH1A1 (0.45) | NPSR1ALDH1A1HTTKMT2ANPC1 | |
| Ethylene SCHEMBL973759 | 0.80 | NPSR1 (0.43) | NPSR1ALDH1A1HTTKMT2ANPC1 | |
| SCHEMBL11144520 | 0.80 | NPSR1 (0.43) | NPSR1ALDH1A1HTTKMT2ANPC1 | |
| Hydrochloric Acid SCHEMBL10483478 | 0.78 | ALDH1A1 (0.44) | NPSR1ALDH1A1HTTKMT2ANPC1 | |
| Sulfuric Acid SCHEMBL9324944 | 0.77 | HSP90AA1 (0.43) | NPSR1ALDH1A1HTTKMT2ANPC1 | |
| SCHEMBL2435487 | 0.75 | ALDH1A1 (0.47) | ALDH1A1KMT2ARAB9AGLAPOLB |
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-110114357-A | It can be used as the Heterobicyclic compounds of the regulator of IL-12, IL-23 and/or IFN α reaction | 百时美施贵宝公司 | 2019-08-09 | — | — | CN | disclosed |