Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.33 |
| ▸ | KLK1 | P06870 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
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 SCHEMBL28111529 | 1.00 | CYP2A6 (0.44) | CYP2A6ALOX12CES2CES1CYP1A2 | |
| SCHEMBL27831138 | 0.83 | MEN1 (0.41) | ALOX12CES2CES1CYP1A2TDP1 | |
| Naphthalene SCHEMBL31456246 | 0.82 | CYP2A6 (0.57) | CYP2A6ALOX12CES2CES1CYP1A2 | |
| Naphthalene SCHEMBL3285009 | 0.82 | CYP2A6 (0.57) | CYP2A6ALOX12CES2CES1CYP1A2 | |
| Biphenyl SCHEMBL9009481 | 0.81 | ALDH1A1 (0.47) | CYP1A2MEN1MAPTKMT2ACA1 | |
| O-Xylene SCHEMBL28790241 | 0.79 | TSHR (0.50) | CES2CES1TDP1CA1CA2 | |
| Phenol SCHEMBL28223761 | 0.79 | TDP1 (0.55) | CES2CYP1A2TDP1MEN1MAPT | |
| SCHEMBL7761466 | 0.79 | AKR1C3 (0.41) | CYP2A6CES2CES1CYP1A2TDP1 | |
| Benzene SCHEMBL28112013 | 0.78 | — | — | |
| Toluene SCHEMBL4094664 | 0.77 | LMNA (0.52) | ALOX12CES2CES1MEN1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114424311-A | Super capacitor comprising phosphonic acid and arsonic acid Metal Organic Framework (MOF) as active electrode materials | 柏林工业大学 | 2022-04-29 | — | — | CN | disclosed |
| CN-106928218-A | Salt and crystal form of morpholine derivative, preparation method, pharmaceutical composition and application thereof | 上海医药集团股份有限公司 | 2017-07-07 | — | — | CN | disclosed |
| CN-106146811-A | A kind of high-purity medical high polymer and preparation method thereof | 张锐 | 2016-11-23 | — | — | CN | disclosed |