Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | IDO1 | P14902 | 4/20 | 0.50 |
| ▸ | CDC25B | P30305 | 3/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | SNCA | P37840 | 2/20 | 0.50 |
| ▸ | AKT1 | P31749 | 1/20 | 0.50 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.50 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.50 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.50 |
| ▸ | NSD1 | Q96L73 | 1/20 | 0.50 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.50 |
| ▸ | S100A4 | P26447 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.38 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
| ▸ | TLK2 | Q86UE8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Phthalimide SCHEMBL27339477 | 0.82 | SMN1; SMN2 (0.57) | ALDH1A1SMN1; SMN2IDO1TP53TSHR | |
| Benzene SCHEMBL28115465 | 0.76 | ALDH1A1 (0.89) | ALDH1A1SMN1; SMN2TAAR1NISCHMEN1 | |
| Benzene SCHEMBL1648398 | 0.76 | ALDH1A1 (0.89) | ALDH1A1SMN1; SMN2TAAR1NISCHMEN1 | |
| SCHEMBL167 | 0.76 | — | — | |
| SCHEMBL9244226 | 0.76 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2TAAR1NISCHMEN1 | |
| SCHEMBL9145211 | 0.76 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2TAAR1NISCHMEN1 | |
| Toluene SCHEMBL27273046 | 0.75 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2MAP2K1TP53TSHR | |
| Formaldehyde SCHEMBL28146054 | 0.74 | — | — | |
| Bromide SCHEMBL5133664 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL19552313 | 0.73 | — | — |
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-116768801-A | Condensed quinone oxime imidazoles and their onium derivatives, their preparation and use | 上海交通大学 | 2023-09-19 | — | — | CN | disclosed |