Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL15426813 | 0.85 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2NPC1RAB9APOLB | |
| SCHEMBL5656305 | 0.83 | RAB9A (0.49) | ALDH1A1SMN1; SMN2NPC1RAB9APOLB | |
| SCHEMBL11870623 | 0.81 | HPGD (0.61) | ALDH1A1SMN1; SMN2NPC1RAB9APOLB | |
| SCHEMBL11870523 | 0.81 | SMN1; SMN2 (0.65) | ALDH1A1SMN1; SMN2NPC1RAB9APOLB | |
| SCHEMBL2321355 | 0.81 | HPGD (0.59) | ALDH1A1SMN1; SMN2MAPTHTTTDP1 | |
| SCHEMBL10717383 | 0.81 | CYP1A2 (0.68) | ALDH1A1SMN1; SMN2NPC1RAB9APOLB | |
| SCHEMBL11863116 | 0.79 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2NPC1RAB9APOLB | |
| SCHEMBL11212870 | 0.79 | SMN1; SMN2 (0.66) | ALDH1A1SMN1; SMN2NPC1RAB9APOLB | |
| SCHEMBL15563329 | 0.78 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2MAPTLMNAHTT | |
| SCHEMBL11872465 | 0.77 | NPC1 (0.62) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106632129-B | The double thioether analog derivative, preparation method and application of (thiophene) diazole are disliked containing 1,3,4- | 贵州大学 | 2019-06-07 | — | — | CN | disclosed |
| CN-106632129-A | Disulfide derivative containing 1,3,4-oxa(thia)diazole and preparation method and application of derivative | 贵州大学 | 2017-05-10 | — | — | CN | disclosed |
| CN-106167472-A | A kind of 2,5 substituent group 1,3,4 diazole thioether analog derivatives, its preparation method and application | 贵州大学 | 2016-11-30 | — | — | CN | disclosed |