Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 6/20 | 0.54 |
| ▸ | APAF1 | O14727 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | RAD52 | P43351 | 1/20 | 0.50 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.41 |
| ▸ | LSS | P48449 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| Cetrimonium SCHEMBL4813822 | 0.98 | DNM1 (0.58) | DNM1APAF1HSP90AA1RAD52BBOX1 | |
| Trifluoromethanesulfonic Acid SCHEMBL14990762 | 0.98 | DNM1 (0.58) | DNM1APAF1HSP90AA1RAD52BBOX1 | |
| Trifluoromethanesulfonic Acid SCHEMBL5493268 | 0.98 | DNM1 (0.58) | DNM1APAF1HSP90AA1RAD52BBOX1 | |
| Trifluoromethanesulfonic Acid SCHEMBL10660719 | 0.94 | BBOX1 (0.48) | DNM1APAF1HSP90AA1RAD52BBOX1 | |
| Tetrapentylammonium SCHEMBL2862362 | 0.88 | SLC22A1 (0.52) | DNM1KCNH2 | |
| Trifluoromethanesulfonic Acid SCHEMBL8769828 | 0.86 | HTT (0.58) | DNM1HSP90AA1RAD52KCNH2 | |
| Trifluoromethanesulfonic Acid SCHEMBL8770118 | 0.86 | HTT (0.58) | DNM1HSP90AA1RAD52KCNH2 | |
| Trifluoromethanesulfonic Acid SCHEMBL8769534 | 0.86 | HTT (0.58) | DNM1HSP90AA1RAD52KCNH2 | |
| Trifluoromethanesulfonic Acid SCHEMBL5175694 | 0.86 | KCNH2 (0.46) | DNM1KCNH2LSSEPHX1 | |
| Trifluoromethanesulfonic Acid SCHEMBL17180014 | 0.86 | HTT (0.58) | DNM1HSP90AA1RAD52KCNH2 |
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-112110800-B | 3-aryl-2-propyne-1-alcohol derivative and preparation method thereof | 哈尔滨工业大学（深圳） | 2022-06-24 | — | — | CN | disclosed |
| CN-112110800-A | 3-aryl-2-propyne-1-alcohol derivative and preparation method thereof | 哈尔滨工业大学（深圳） | 2020-12-22 | — | — | CN | disclosed |