Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.73 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.60 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.60 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.56 |
| ▸ | NAMPT | P43490 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | RET | P07949 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30762256 | 1.00 | IDO1 (0.73) | IDO1CYP11B1CYP11B2SORT1NAMPT | |
| SCHEMBL17149648 | 0.85 | IDO1 (1.00) | IDO1NAMPTNPC1RAB9ALMNA | |
| SCHEMBL4268237 | 0.85 | IDO1 (0.81) | IDO1CYP11B1CYP11B2NAMPTNPC1 | |
| SCHEMBL29176363 | 0.84 | NPC1 (0.71) | IDO1NPC1RAB9APOLBLMNA | |
| SCHEMBL30571090 | 0.84 | ROCK2 (0.52) | IDO1NPC1RAB9AROCK2ROCK1 | |
| SCHEMBL20596831 | 0.84 | ROCK2 (0.52) | IDO1NPC1RAB9AROCK2ROCK1 | |
| SCHEMBL29176354 | 0.83 | NPC1 (0.58) | IDO1KMT2ANPC1RAB9APOLB | |
| SCHEMBL30762244 | 0.82 | NPC1 (0.57) | KMT2ANPC1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL17422865 | 0.82 | NPC1 (0.57) | KMT2ANPC1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL20611936 | 0.81 | ROCK2 (0.53) | IDO1KMT2ANPC1RAB9AROCK2 |
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-117447381-A | Indole amide derivative and its application in preparing beta 2 Use of adrenoreceptor allosteric antagonist medicaments | 常州大学 | 2024-01-26 | — | — | CN | disclosed |