Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX1 | P51575 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.49 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.48 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.48 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30530153 | 1.00 | P2RX1 (0.55) | P2RX1HTTMEN1KMT2ARXFP1 | |
| SCHEMBL30530071 | 0.83 | GRM4 (0.53) | HTTMEN1KMT2AMAPTGRM4 | |
| SCHEMBL25375418 | 0.83 | GRM4 (0.53) | HTTMEN1KMT2AMAPTGRM4 | |
| SCHEMBL30530092 | 0.81 | SCN8A (0.47) | P2RX1MAPTLRRK2GAAALDH1A1 | |
| SCHEMBL25375384 | 0.81 | SCN8A (0.47) | P2RX1MAPTLRRK2GAAALDH1A1 | |
| SCHEMBL29062006 | 0.80 | LRRK2 (0.65) | P2RX1HTTMEN1KMT2ARXFP1 | |
| SCHEMBL30530156 | 0.80 | LRRK2 (0.65) | P2RX1HTTMEN1KMT2ARXFP1 | |
| SCHEMBL4555004 | 0.79 | KDR (0.70) | MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL23027376 | 0.74 | JAK2 (0.56) | — | |
| SCHEMBL25388248 | 0.74 | CA1 (0.46) | P2RX1MEN1KMT2AMAPTALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023160509-A1 | AMIDINE DERIVATIVE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2023-08-31 | — | — | WO | disclosed |
| CN-116655497-A | Amidine derivative compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2023-08-29 | — | — | CN | disclosed |