Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| (Chloromethyl)Benzene SCHEMBL27624896 | 0.89 | AKR1B1 (0.50) | TDP1CES2CES1AKR1B1TP53 | |
| (Chloromethyl)Benzene SCHEMBL27655795 | 0.87 | ALDH1A1 (0.45) | TDP1CES2CES1AKR1B1TP53 | |
| (Chloromethyl)Benzene SCHEMBL29136077 | 0.85 | PLA2G10 (0.42) | CES2CES1AKR1B1TP53ALDH1A1 | |
| (Chloromethyl)Benzene SCHEMBL27562557 | 0.84 | ALDH1A1 (0.52) | TDP1CES2CES1AKR1B1ALDH1A1 | |
| (Chloromethyl)Benzene SCHEMBL27410445 | 0.84 | ALDH1A1 (0.52) | TDP1CES2CES1AKR1B1ALDH1A1 | |
| (Chloromethyl)Benzene SCHEMBL998444 | 0.84 | CES2 (0.52) | TDP1CES2CES1AKR1B1ALDH1A1 | |
| (Chloromethyl)Benzene SCHEMBL28304438 | 0.83 | CA2 (0.52) | CES2CES1AKR1B1TP53ALDH1A1 | |
| SCHEMBL11690445 | 0.82 | ALDH1A1 (0.56) | HSD11B1TDP1CES2CES1ALDH1A1 | |
| Ethylbenzene SCHEMBL27348344 | 0.82 | TP53 (0.67) | HSD11B1TDP1CES2CES1AKR1B1 | |
| (Chloromethyl)Benzene SCHEMBL10408112 | 0.81 | TSHR (0.50) | TDP1CES2CES1AKR1B1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102093188-A | Method for preparing 2'-hydroxyl-5'-chloromethyl acetophenone | RIQING CAO | 2011-06-15 | — | — | CN | claimed |
| CN-102093188-A | Method for preparing 2'-hydroxyl-5'-chloromethyl acetophenone | RIQING CAO | 2011-06-15 | — | — | CN | disclosed |
| CN-1145609-C | Piperazine compounds and medical use thereof | ������ҩ��ʽ���� | 2004-04-14 | — | — | CN | disclosed |
| CN-1281438-A | Piperazine compounds and their use as pharmaceuticals | EFUKU CO LTD (JP) | 2001-01-24 | — | — | CN | disclosed |