Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18175548 | 1.00 | CYP2C19 (0.40) | CYP2C19LMNATSHRTRPA1ALDH1A1 | |
| SCHEMBL22571132 | 0.78 | LMNA (0.36) | CYP2C19LMNATSHRTRPA1ALDH1A1 | |
| SCHEMBL10975419 | 0.74 | — | — | |
| SCHEMBL9924735 | 0.74 | TLR4 (0.42) | ALDH1A1SERPINA6SHBGMMP2SLC22A1 | |
| SCHEMBL2724484 | 0.73 | CYP2C19 (0.42) | CYP2C19LMNATSHRTRPA1ALDH1A1 | |
| SCHEMBL17633710 | 0.72 | LMNA (0.42) | CYP2C19LMNATSHRTRPA1ALDH1A1 | |
| SCHEMBL440413 | 0.70 | CYP19A1 (0.35) | CYP2C19LMNATSHRALDH1A1SERPINA6 | |
| SCHEMBL11150893 | 0.70 | TLR4 (0.35) | SERPINA6MMP2PGR | |
| SCHEMBL17395906 | 0.68 | CYP2C19 (0.37) | CYP2C19LMNATSHRTRPA1ALDH1A1 | |
| SCHEMBL21678057 | 0.68 | TLR4 (0.34) | CYP19A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3897865-A1 | FRAGRANCE COMPOSITIONS | Firmenich SA (CH) | 2021-10-27 | — | — | EP | claimed |
| WO-2020234154-A1 | FRAGRANCE COMPOSITIONS | FIRMENICH SA (CH) | 2020-11-26 | — | — | WO | claimed |
| WO-2022147076-A1 | INSECT REPELLENT COMPOSITIONS | MANUS BIO INC. (US) | 2022-07-07 | — | — | WO | disclosed |
| EP-2970934-B1 | VALENCENE SYNTHASE POLYPEPTIDES, ENCODING NUCLEIC ACID MOLECULES AND USES THEREOF | EVOLVA INC (US) | 2017-08-16 | — | — | EP | disclosed |