Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | DPP4 | P27487 | 2/20 | 0.35 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.35 |
| ▸ | ICMT | O60725 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29278120 | 1.00 | MPO (0.38) | MPOHRH3SLC6A4DPP4DPP9 | |
| SCHEMBL30762171 | 0.87 | SLC6A4 (0.38) | HRH3SLC6A4ICMTKDM4EALDH1A1 | |
| SCHEMBL30762166 | 0.87 | TSHR (0.45) | HRH3SLC6A4ICMTKDM1APRKCI | |
| SCHEMBL29278118 | 0.87 | SLC6A4 (0.38) | HRH3SLC6A4ICMTKDM4EALDH1A1 | |
| SCHEMBL29278114 | 0.87 | TSHR (0.45) | HRH3SLC6A4ICMTKDM1APRKCI | |
| SCHEMBL30762183 | 0.86 | HRH3 (0.36) | HRH3SLC6A4ICMTKDM4EMEN1 | |
| SCHEMBL29278111 | 0.86 | HRH3 (0.36) | HRH3SLC6A4ICMTKDM4EMEN1 | |
| SCHEMBL29278097 | 0.78 | LOXL2 (0.48) | HRH3 | |
| SCHEMBL26656360 | 0.78 | KDM4E (0.43) | MPOSLC6A4KDM4EMEN1ALDH1A1 | |
| SCHEMBL11617787 | 0.76 | PRKCI (0.46) | HRH3SLC6A4ICMTKDM4EMEN1 |
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-117402081-A | Aryl substituted amine derivative, preparation method and application thereof | 南京医科大学 | 2024-01-16 | — | — | CN | disclosed |