Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.41 |
| ▸ | TUBB | P07437 | 1/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.41 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.41 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.41 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.41 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.41 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.41 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.41 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.41 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 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 | |
|---|---|---|---|---|
| SCHEMBL182140 | 0.83 | ADH5 (0.48) | AKR1B1THRB | |
| SCHEMBL4645055 | 0.81 | TUBB4A (0.54) | AKR1B1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL28150796 | 0.79 | AKR1B1 (0.51) | AKR1B1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL6052518 | 0.77 | TUBB4A (0.54) | ALDH1A1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL15167972 | 0.77 | NPSR1 (0.49) | ALDH1A1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL2336592 | 0.74 | COMT (0.53) | AKR1B1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL4648887 | 0.74 | ADH5 (0.41) | AKR1B1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL3260484 | 0.74 | TUBB4A (0.55) | ALDH1A1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL405705 | 0.73 | TUBB4A (0.58) | AKR1B1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL27911610 | 0.73 | COMT (0.52) | AKR1B1TUBB4ATUBBTUBA3CTUBA1B |
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-103450163-B | Indazole compounds, its preparation method and its medicinal usage | 中国医学科学院药物研究所 | 2017-06-23 | — | — | CN | disclosed |