Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Acetic Acid Propyl Ester SCHEMBL28587153 | 0.90 | ALDH1A1 (0.50) | ALDH1A1TSHRHPGDHCAR2LMNA | |
| SCHEMBL167897 | 0.85 | — | — | |
| SCHEMBL28516798 | 0.85 | TSHR (0.58) | ALDH1A1TSHRHPGDHCAR2HSD17B10 | |
| Butane SCHEMBL722315 | 0.83 | ALDH1A1 (0.38) | ALDH1A1TSHRHPGDLMNAHSD17B10 | |
| Bicarbonate SCHEMBL28328745 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TSHRHCAR2LMNAHSD17B10 | |
| Propanol SCHEMBL28313962 | 0.79 | ALDH1A1 (0.35) | ALDH1A1TSHRHPGDLMNAHSD17B10 | |
| Hexane SCHEMBL3257416 | 0.79 | ALDH1A1 (0.44) | ALDH1A1TSHRHPGDLMNAHSD17B10 | |
| SCHEMBL15022970 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TSHRHPGDLMNAHSD17B10 | |
| Acetic Acid Butyl Ester SCHEMBL17797769 | 0.78 | ALDH1A1 (0.69) | ALDH1A1TSHRHPGDHCAR2LMNA | |
| Alcohol SCHEMBL381890 | 0.78 | — | — |
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-107644995-A | Pre- embedding sodium hard carbon material and preparation method thereof | 湖南大学 | 2018-01-30 | — | — | CN | disclosed |
| CN-107644980-A | Pre- embedding lithium hard carbon material and its preparation method and application | 湖南大学 | 2018-01-30 | — | — | CN | disclosed |