Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | USP7 | Q93009 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23162500 | 0.81 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2RAB9AUSP7NPC1 | |
| SCHEMBL17204603 | 0.78 | HCAR2 (0.50) | ALDH1A1SMN1; SMN2RAB9AUSP7NPC1 | |
| SCHEMBL2629374 | 0.76 | NOS1 (0.40) | SMN1; SMN2RAB9ANPC1POLBHCAR2 | |
| SCHEMBL5875664 | 0.76 | RAB9A (0.47) | ALDH1A1SMN1; SMN2RAB9AUSP7NPC1 | |
| SCHEMBL24127269 | 0.76 | CYP1A2 (0.37) | ALDH1A1SMN1; SMN2RAB9ANPC1HDAC3 | |
| SCHEMBL3339285 | 0.74 | PIK3CD (0.35) | ALDH1A1SMN1; SMN2NPC1HDAC3HDAC4 | |
| SCHEMBL16742553 | 0.72 | ALDH1A1 (0.42) | ALDH1A1HSD17B1HSD17B2 | |
| SCHEMBL4781387 | 0.71 | — | — | |
| SCHEMBL15553434 | 0.71 | — | — | |
| SCHEMBL854956 | 0.71 | — | — |
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-114555568-B | Preparation of 2-chloro-1- (2-chlorothiazol-5-yl) ethanone | 巴斯夫欧洲公司 | 2025-01-24 | — | — | CN | disclosed |