Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.43 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 10/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7704610 | 0.84 | ATM (0.47) | ATMEPHX1ALDH1A1MEN1RECQL | |
| Trifluoroacetic Acid SCHEMBL6826325 | 0.81 | HTT (0.42) | ALDH1A1MEN1RECQLKMT2ANPSR1 | |
| Trifluoroacetic Acid SCHEMBL6824506 | 0.81 | HTT (0.42) | ALDH1A1MEN1RECQLKMT2ANPSR1 | |
| Trifluoroacetic Acid SCHEMBL582998 | 0.79 | ALDH1A1 (0.55) | PDK1PDK2PDK3PDK4ATM | |
| Trifluoromethanesulfonic Acid SCHEMBL28005079 | 0.79 | PDK1 (0.39) | PDK1PDK2PDK3PDK4ATM | |
| SCHEMBL19705361 | 0.78 | ALDH1A1 (0.47) | ATMEPHX1ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL18844888 | 0.78 | ALDH1A1 (0.47) | ATMEPHX1ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL22369902 | 0.78 | ALDH1A1 (0.47) | ATMEPHX1ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL7776775 | 0.78 | ALDH1A1 (0.47) | ATMEPHX1ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL19966112 | 0.78 | ALDH1A1 (0.47) | ATMEPHX1ALDH1A1SMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104342087-B | N-isopropylcyclohexylamine-containing supramolecular phase material and preparation method and application thereof | 厦门大学 | 2017-03-22 | — | — | CN | disclosed |
| CN-104342087-A | N-isopropylcyclohexylamine-containing supramolecular phase material and preparation method and application thereof | UNIV XIAMEN | 2015-02-11 | — | — | CN | disclosed |