Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SGMS2 | Q8NHU3 | 2/20 | 0.46 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.45 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.45 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.45 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11153597 | 0.83 | TDP1 (0.66) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| Benzyl Salicylate SCHEMBL29411199 | 0.83 | TDP1 (0.75) | TDP1KMT2AALDH1A1HTTMCL1 | |
| SCHEMBL38459 | 0.83 | ALDH1A1 (0.69) | TDP1KMT2AALDH1A1HTTMCL1 | |
| SCHEMBL27320205 | 0.81 | ALDH1A1 (0.68) | TDP1KMT2AALDH1A1HTTMCL1 | |
| SCHEMBL27344933 | 0.81 | ALDH1A1 (0.68) | TDP1KMT2AALDH1A1HTTMCL1 | |
| SCHEMBL336833 | 0.81 | PPARG (0.63) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| Salicylic Acid SCHEMBL6547019 | 0.81 | TDP1 (0.70) | TDP1KMT2AALDH1A1HTTMCL1 | |
| Salicylic Acid SCHEMBL31052931 | 0.80 | ALDH1A1 (0.66) | KMT2AALDH1A1HTTMCL1RAB9A | |
| Salicylic Acid SCHEMBL30476656 | 0.80 | ALDH1A1 (0.66) | KMT2AALDH1A1HTTMCL1RAB9A | |
| Benzyl Benzoate SCHEMBL19138878 | 0.80 | TDP1 (0.73) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 |
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-117396590-A | Perfume for improving relaxation state and evaluation method | 奇华顿股份有限公司 | 2024-01-12 | — | — | CN | claimed |