Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL28227167 | 0.97 | CYP2A6 (0.47) | CYP2A6ALOX12CYP1A2TDP1RAB9A | |
| Naphthalene SCHEMBL216220 | 0.87 | CYP2A6 (0.57) | CYP2A6ALOX12CYP1A2TDP1RAB9A | |
| Naphthalene SCHEMBL27493313 | 0.86 | ALDH1A1 (0.58) | CYP2A6ALOX12CYP1A2RAB9AMEN1 | |
| Naphthalene SCHEMBL1080458 | 0.83 | CYP2A6 (0.61) | CYP2A6ALOX12CYP1A2TDP1TSHR | |
| Naphthalene SCHEMBL1538234 | 0.83 | CYP2A6 (0.61) | CYP2A6ALOX12CYP1A2TDP1RAB9A | |
| Naphthalene SCHEMBL15537489 | 0.82 | LMNA (0.62) | RAB9AMEN1KMT2AHTTTSHR | |
| Decanol SCHEMBL27731676 | 0.82 | LMNA (0.62) | RAB9AMEN1KMT2AHTTTSHR | |
| Nonanol SCHEMBL29217536 | 0.82 | LMNA (0.62) | RAB9AMEN1KMT2AHTTTSHR | |
| Pyrene SCHEMBL29078946 | 0.80 | ALDH1A1 (0.58) | CYP1A2TDP1MEN1KMT2AATM | |
| Naphthalene SCHEMBL11774251 | 0.79 | CYP2A6 (0.67) | CYP2A6ALOX12CYP1A2TDP1RAB9A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114436851-A | Preparation method of N, N-dimethylbenzylamine and derivative thereof | 常州大学 | 2022-05-06 | — | — | CN | claimed |
| CN-101574646-B | Lipase bonded stationary phase and preparation method and use thereof | UNIV CHINA AGRICULTURAL | 2011-07-20 | — | — | CN | claimed |
| CN-101574646-A | Lipase bonded stationary phase and preparation method and use thereof | UNIV CHINA AGRICULTURAL (CN) | 2009-11-11 | — | — | CN | claimed |
| CN-1045391-C | Oral delivery system | BIOTECH AUSTRALIA PTY LTD (AU) | 1999-10-06 | — | — | CN | claimed |
| CN-86107590-A | Oral administration system | — | 1987-05-20 | — | — | CN | claimed |
| CN-107245024-B | A kind of preparation method of the third benzene and its derivative of 1- chlorine | 西南化工研究设计院有限公司 | 2019-10-25 | — | — | CN | disclosed |
| CN-107245024-A | A kind of preparation method of the benzene and its derivative of 1 chlorine third | 西南化工研究设计院有限公司 | 2017-10-13 | — | — | CN | disclosed |
| CN-101574646-B | Lipase bonded stationary phase and preparation method and use thereof | UNIV CHINA AGRICULTURAL | 2011-07-20 | — | — | CN | disclosed |
| CN-101574646-A | Lipase bonded stationary phase and preparation method and use thereof | UNIV CHINA AGRICULTURAL (CN) | 2009-11-11 | — | — | CN | disclosed |
| CN-1274839-C | Process for the preparation of enantiomerically enriched esters and alcohols | DSM NV (NL) | 2006-09-13 | — | — | CN | disclosed |
| CN-1430677-A | Process for the preparation of enantiomerically enriched esters and alcohols | DSM NV (NL) | 2003-07-16 | — | — | CN | disclosed |