Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.31 |
| ▸ | TUBB | P07437 | 1/20 | 0.31 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.31 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.31 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.31 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.31 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.31 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.31 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.31 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.31 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.31 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.31 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.31 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.31 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28902793 | 0.80 | SMN1; SMN2 (0.53) | ALDH1A1CYP3A4TDP1SMN1; SMN2MEN1 | |
| SCHEMBL26458277 | 0.70 | SMN1; SMN2 (0.62) | ALDH1A1SMN1; SMN2KDM4EMEN1NPC1 | |
| SCHEMBL9260123 | 0.69 | SMN1; SMN2 (0.61) | ALDH1A1TDP1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL2209697 | 0.69 | ALDH1A1 (0.65) | ALDH1A1CYP3A4TDP1SMN1; SMN2KDM4E | |
| SCHEMBL29160881 | 0.68 | ALDH1A1 (0.33) | ALDH1A1CYP3A4TDP1KDM4EMEN1 | |
| SCHEMBL30463225 | 0.67 | SMN1; SMN2 (0.53) | ALDH1A1CYP3A4TDP1SMN1; SMN2KDM4E | |
| SCHEMBL28564879 | 0.67 | PDE2A (0.39) | ALDH1A1CYP3A4TDP1SMN1; SMN2TUBB4A | |
| SCHEMBL9873091 | 0.66 | KDM4E (0.43) | ALDH1A1TDP1SMN1; SMN2TUBB1KDM4E | |
| SCHEMBL1771888 | 0.66 | NPC1 (0.45) | ALDH1A1TDP1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL29022111 | 0.66 | HSD17B10 (0.33) | — |
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-107556266-B | 2-mercapto-4-substituted-6-fluorobenzothiazole and preparation method and application thereof | 华南农业大学 | 2021-04-23 | — | — | CN | disclosed |