Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26615183 | 1.00 | MAPT (0.47) | MAPTMEN1KMT2AALDH1A1NPSR1 | |
| SCHEMBL26615137 | 0.86 | ALDH1A1 (0.41) | MAPTMEN1KMT2AALDH1A1NPSR1 | |
| SCHEMBL18211742 | 0.81 | ALDH1A1 (0.60) | MAPTMEN1KMT2AALDH1A1NPSR1 | |
| SCHEMBL16913854 | 0.81 | ALDH1A1 (0.48) | MAPTMEN1KMT2AALDH1A1NPSR1 | |
| SCHEMBL18212645 | 0.81 | ALDH1A1 (0.60) | MAPTMEN1KMT2AALDH1A1NPSR1 | |
| SCHEMBL16913852 | 0.81 | ALDH1A1 (0.48) | MAPTMEN1KMT2AALDH1A1NPSR1 | |
| SCHEMBL26615189 | 0.78 | ALDH1A1 (0.37) | MAPTMEN1KMT2AALDH1A1NPSR1 | |
| SCHEMBL29097328 | 0.77 | ALDH1A1 (0.52) | MAPTMEN1KMT2AALDH1A1NPSR1 | |
| SCHEMBL30665395 | 0.77 | ALDH1A1 (0.52) | MAPTMEN1KMT2AALDH1A1NPSR1 | |
| SCHEMBL26615167 | 0.77 | ALDH1A1 (0.48) | MAPTMEN1KMT2AALDH1A1NPSR1 |
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-116947713-A | Ring-merging compound and application thereof | 中国科学院上海药物研究所 | 2023-10-27 | — | — | CN | disclosed |