Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.68 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.68 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Benzyl Benzoate SCHEMBL29441813 | 1.00 | TDP1 (0.68) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| Benzoic Acid SCHEMBL6547047 | 0.88 | ALDH1A1 (0.62) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| Benzyl Benzoate SCHEMBL10973774 | 0.88 | TDP1 (0.82) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL2720454 | 0.86 | ALDH1A1 (0.67) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| 2-Benzoylbenzoic Acid SCHEMBL29386980 | 0.85 | TDP1 (0.72) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL30438068 | 0.85 | KMT2A (0.58) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL5860477 | 0.84 | PPARG (0.61) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6639780 | 0.83 | PPARG (0.59) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| Benzoic Acid SCHEMBL29974267 | 0.82 | TSHR (0.86) | TSHRKDM4ECA1CA2CA9 | |
| SCHEMBL30578632 | 0.82 | LMNA (0.67) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3500236-A1 | A PRESERVATIVE MIXTURE | Symrise AG (DE) | 2019-06-26 | — | — | EP | disclosed |
| WO-2018036625-A1 | A PRESERVATIVE MIXTURE | SYMRISE AG (DE) | 2018-03-01 | — | — | WO | disclosed |
| CN-106668438-A | Medical composition for treating scapulohumeral periarthritis and preparation method of medical composition | 济南昊雨青田医药技术有限公司 | 2017-05-17 | — | — | CN | disclosed |
| WO-2011103715-A1 | TASK CHANNEL ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-09-01 | — | — | WO | disclosed |