Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.55 |
| ▸ | CES2 | O00748 | 2/20 | 0.51 |
| ▸ | CES1 | P23141 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | FAAH | O00519 | 2/20 | 0.48 |
| ▸ | CETP | P11597 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8922205 | 0.91 | EPHX2 (0.61) | KMT2AEPHX2ALDH1A1TDP1FAAH | |
| SCHEMBL20113451 | 0.87 | L3MBTL1 (0.53) | MEN1KMT2AEPHX2CES2CES1 | |
| SCHEMBL28219587 | 0.84 | MAPT (0.58) | ALDH1A1TDP1L3MBTL1HDAC3MAPT | |
| SCHEMBL28404831 | 0.83 | EPHX2 (0.55) | MEN1KMT2AEPHX2CES2CES1 | |
| Ethylene SCHEMBL28219597 | 0.81 | MAPT (0.55) | ALDH1A1TDP1L3MBTL1HDAC3MAPT | |
| SCHEMBL14732599 | 0.80 | THRB (0.42) | MEN1KMT2AALDH1A1FAAH | |
| SCHEMBL45253 | 0.80 | TDP1 (0.61) | KMT2AALDH1A1TDP1L3MBTL1HDAC3 | |
| Hydrochloric Acid SCHEMBL8453945 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TDP1FAAHHPGDCNR2 | |
| SCHEMBL14732589 | 0.78 | THRB (0.41) | MEN1KMT2AALDH1A1FAAH | |
| SCHEMBL7606998 | 0.78 | EPHX2 (0.50) | MEN1KMT2AEPHX2CES2CES1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116751199-A | Mitochondrial protease targeted chimera, preparation method and application | 中国科学院基础医学与肿瘤研究所(筹) | 2023-09-15 | — | — | CN | claimed |
| CN-112469405-A | Therapeutic methods and compositions for treating pancreatic cancer using 6, 8-bis (benzylthio) octanoic acid | 拉斐尔制药股份有限公司 | 2021-03-09 | — | — | CN | claimed |
| CN-116751199-A | Mitochondrial protease targeted chimera, preparation method and application | 中国科学院基础医学与肿瘤研究所(筹) | 2023-09-15 | — | — | CN | disclosed |
| CN-112843035-B | Medicine, application and preparation method thereof | 武汉大学 | 2022-04-29 | — | — | CN | disclosed |
| CN-112741828-B | Drug combination and preparation method and application thereof | 武汉大学 | 2022-04-26 | — | — | CN | disclosed |
| CN-112843035-A | Medicine, application and preparation method thereof | 武汉大学 | 2021-05-28 | — | — | CN | disclosed |
| CN-112741828-A | Drug combination and preparation method and application thereof | 武汉大学 | 2021-05-04 | — | — | CN | disclosed |
| CN-112469405-A | Therapeutic methods and compositions for treating pancreatic cancer using 6, 8-bis (benzylthio) octanoic acid | 拉斐尔制药股份有限公司 | 2021-03-09 | — | — | CN | disclosed |
| CN-112469405-A | Therapeutic methods and compositions for treating pancreatic cancer using 6, 8-bis (benzylthio) octanoic acid | 拉斐尔制药股份有限公司 | 2021-03-09 | — | — | CN | disclosed |
| CN-112469405-A | Therapeutic methods and compositions for treating pancreatic cancer using 6, 8-bis (benzylthio) octanoic acid | 拉斐尔制药股份有限公司 | 2021-03-09 | — | — | CN | disclosed |
| CN-103044437-A | Amphiphilic conjugate nano-particle for treating tumors, as well as preparation method and application of same | UNIV SHANGHAI JIAOTONG | 2013-04-17 | — | — | CN | disclosed |
| WO-2011143593-A1 | CONJUGATES OF A LIPOIC ACID DERIVATIVE AND ANTI-PROLIFERATION AGENT AND MEDICAL USES THEREOF | CORNERSTONE PHARMACEUTICALS, INC. (US) | 2011-11-17 | — | — | WO | disclosed |
| WO-2011143590-A1 | COMBINATION THERAPY COMPOSITIONS AND METHODS USING LIPOIC ACID DERIVATIVES AND AN ANTI-PROLIFERATION AGENT | CORNERSTONE PHARMACEUTICALS, INC. (US) | 2011-11-17 | — | — | WO | disclosed |