Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | FAAH | O00519 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL20910420 | 0.85 | CYP2D6 (0.68) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL1868728 | 0.84 | TSHR (0.64) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL2018677 | 0.82 | TSHR (0.47) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL6547009 | 0.79 | SIGMAR1 (0.52) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL11130481 | 0.78 | ALDH1A1 (0.43) | TAAR1SLC6A2SLC6A3TSHRFAAH | |
| SCHEMBL22721261 | 0.78 | ESR1 (0.49) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL1648334 | 0.78 | ESR1 (0.64) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3047457 | 0.78 | TSHR (0.67) | TAAR1SIGMAR1SLC6A2SLC6A3TSHR | |
| SCHEMBL10633863 | 0.78 | SIGMAR1 (0.50) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL1347498 | 0.77 | TSHR (0.60) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 |
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-105061157-B | Method for preparing 4-tert-octyl-2,6-dicumyl phenol | 哈尔滨理工大学 | 2017-01-18 | — | — | CN | disclosed |