Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | LPL | P06858 | 1/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.33 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2972460 | 0.90 | — | — | |
| P-Xylene SCHEMBL27447774 | 0.83 | ACHE (0.73) | ACHETDP1ALDH1A1CYP2A6CA2 | |
| P-Xylene SCHEMBL31577563 | 0.83 | ACHE (0.73) | ACHETDP1ALDH1A1CYP2A6CA2 | |
| P-Xylene SCHEMBL11772917 | 0.71 | ACHE (1.00) | ACHETDP1ALDH1A1CYP2A6CA2 | |
| P-Xylene SCHEMBL771 | 0.71 | — | — | |
| P-Xylene SCHEMBL11770184 | 0.71 | ACHE (1.00) | ACHETDP1ALDH1A1CYP2A6CA2 | |
| P-Xylene SCHEMBL460348 | 0.71 | ACHE (1.00) | ACHETDP1ALDH1A1CYP2A6CA2 | |
| SCHEMBL2968829 | 0.69 | — | — | |
| P-Xylene SCHEMBL28164319 | 0.68 | ACHE (0.73) | ACHETDP1ALDH1A1CYP2A6CA2 | |
| Toluene SCHEMBL5420405 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0558799-A2 | Catalyst and process for the production of 3-cyano-3,5,5-trialkylcyclohexanone | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1993-09-08 | — | — | EP | disclosed |
| US-5183915-A | Reacting with hydrocyanide in presence of quaternary ammonium or phosphonium cyanide in absence of water | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1993-02-02 | — | — | US | disclosed |