Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 2/20 | 0.30 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.30 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.30 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.30 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28414896 | 0.82 | MAPT (0.35) | ALDH1A1PKMMEN1NPC1AGTR1 | |
| Trifluoroacetic Acid SCHEMBL28417685 | 0.82 | CA12 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL28418637 | 0.80 | — | — | |
| Trifluoroacetic Acid SCHEMBL28418879 | 0.79 | PNMT (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL28422325 | 0.78 | NPSR1 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL28422337 | 0.73 | — | — | |
| SCHEMBL28417684 | 0.71 | — | — | |
| Trifluoroacetic Acid SCHEMBL30333126 | 0.70 | MEN1 (0.41) | ALDH1A1KDM4EMEN1NPC1KMT2A | |
| SCHEMBL18818477 | 0.68 | SMN1; SMN2 (0.33) | ALDH1A1PKMNPC1RAB9APAX8 | |
| Hydrochloric Acid SCHEMBL28409769 | 0.67 | SMN1; SMN2 (0.33) | ALDH1A1PKMNPC1RAB9APAX8 |
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-107250135-B | Long-acting dipeptidyl peptidase-IV inhibitor, application and preparation method of intermediate thereof | 四川科伦博泰生物医药股份有限公司 | 2020-05-26 | — | — | CN | disclosed |