Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | USP8 | P40818 | 1/20 | 0.38 |
| ▸ | USP7 | Q93009 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28281689 | 0.78 | FFAR1 (0.47) | ALDH1A1LMNATSHRSMN1; SMN2MAPT | |
| SCHEMBL28281761 | 0.76 | PTGS2 (0.42) | ALDH1A1HPGDLMNAHTTTSHR | |
| SCHEMBL7948200 | 0.74 | NPC1 (0.59) | ALDH1A1TSHRSMN1; SMN2CA1CA2 | |
| Benzene SCHEMBL27565604 | 0.72 | TSHR (0.60) | ALDH1A1HPGDLMNAHTTTSHR | |
| SCHEMBL7955576 | 0.71 | FFAR1 (0.43) | ALDH1A1LMNASMN1; SMN2PKMKDM4E | |
| SCHEMBL27709888 | 0.71 | ALDH1A1 (0.50) | ALDH1A1HTTTSHRCA1CA2 | |
| Benzene SCHEMBL27888124 | 0.71 | HTR6 (0.50) | ALDH1A1HPGDTSHRSMN1; SMN2CA1 | |
| SCHEMBL2045248 | 0.71 | HTR6 (0.50) | ALDH1A1HPGDTSHRSMN1; SMN2CA1 | |
| SCHEMBL29352197 | 0.69 | TSHR (0.63) | ALDH1A1HPGDHTTTSHRCA1 | |
| Water SCHEMBL19410621 | 0.69 | TSHR (0.63) | ALDH1A1HPGDHTTTSHRCA1 |
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-109456237-A | The synthetic method of alkynyl sulfone | 怀化学院 | 2019-03-12 | — | — | CN | disclosed |