Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL826790 | 0.94 | ALDH1A1 (0.44) | ALDH1A1ALOX15TAAR1USP2NPSR1 | |
| SCHEMBL28078233 | 0.84 | ALDH1A1 (0.54) | ALDH1A1ALOX15TAAR1RAB9ASMN1; SMN2 | |
| SCHEMBL826560 | 0.84 | ALDH1A1 (0.41) | ALDH1A1ALOX15TAAR1USP2NPSR1 | |
| SCHEMBL827065 | 0.80 | — | — | |
| SCHEMBL22711081 | 0.77 | ALDH1A1 (0.39) | ALDH1A1ALOX15TAAR1USP2NPSR1 | |
| SCHEMBL827157 | 0.74 | ALDH1A1 (0.39) | ALDH1A1ALOX15TAAR1USP2NPSR1 | |
| SCHEMBL7690640 | 0.73 | ALDH1A1 (0.45) | ALDH1A1ALOX15TAAR1USP2NPSR1 | |
| SCHEMBL10399369 | 0.71 | ALDH1A1 (0.46) | ALDH1A1ALOX15TAAR1USP2NPSR1 | |
| SCHEMBL27843777 | 0.70 | — | — | |
| SCHEMBL27625769 | 0.70 | — | — |
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-109761810-A | A kind of preparation method of torpescence alkene aryl compound | 浙江工业大学 | 2019-05-17 | — | — | CN | claimed |
| CN-109761810-A | A kind of preparation method of torpescence alkene aryl compound | 浙江工业大学 | 2019-05-17 | — | — | CN | disclosed |