Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 7/20 | 0.43 |
| ▸ | MAOA | P21397 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14012273 | 0.84 | ALDH1A1 (0.43) | ALDH1A1GSTP1CA12CA1CA2 | |
| SCHEMBL3175534 | 0.82 | ALDH1A1 (0.50) | ALDH1A1MAOBMAOACYP3A4POLB | |
| SCHEMBL13034122 | 0.80 | ALDH1A1 (0.60) | ALDH1A1MAOBPOLBMAPTSMN1; SMN2 | |
| SCHEMBL43788 | 0.80 | ALDH1A1 (0.58) | ALDH1A1CA2MAOBCYP3A4POLB | |
| SCHEMBL132773 | 0.78 | ALDH1A1 (0.78) | ALDH1A1CA2CYP3A4POLBMAPT | |
| SCHEMBL24180822 | 0.78 | ALDH1A1 (0.60) | ALDH1A1CA2MAOBMAOACYP3A4 | |
| SCHEMBL13637507 | 0.78 | CA12 (0.47) | GSTP1CA12CA1CA2CA4 | |
| SCHEMBL21324729 | 0.77 | CYP19A1 (0.55) | ALDH1A1CYP19A1MAOBMAOAPOLB | |
| SCHEMBL8333499 | 0.77 | ALDH1A1 (0.59) | ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL27795584 | 0.77 | KDM4E (0.55) | ALDH1A1SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017199028-A1 | BIOORTHOGONAL COMPOUNDS COMPRISING A PROPARGYL GROUP FOR TREATING CANCER | THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) | 2017-11-23 | — | — | WO | disclosed |