Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9383732 | 0.82 | KMT2A (0.53) | SCN9AIDO1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL28066996 | 0.78 | IDO1 (0.43) | IDO1SMN1; SMN2RAB9AALDH1A1LMNA | |
| SCHEMBL28067031 | 0.77 | IDO1 (0.42) | IDO1SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL28074068 | 0.77 | NPC1 (0.48) | SCN9AIDO1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL16986458 | 0.74 | SCN9A (0.41) | SCN9AIDO1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL22349829 | 0.73 | DYRK1A (0.42) | SCN9AIDO1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL22349828 | 0.73 | NPC1 (0.48) | SCN9AIDO1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL28066998 | 0.73 | METAP2 (0.46) | ALDH1A1LMNAHSP90AA1HSP90AB1HPGD | |
| SCHEMBL27545011 | 0.71 | KMT2A (0.65) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL28088809 | 0.68 | RAB9A (0.43) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-106380475-A | Thieno [2, 3-d] pyrimidine compound, preparation method thereof and application thereof | 湖北民族学院 | 2017-02-08 | — | — | CN | disclosed |
| CN-106008390-A | Derivative containing 1,3,4-oxdiazole sulfenyl acetamide, preparation method and application thereof | 贵州大学 | 2016-10-12 | — | — | CN | disclosed |