Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 8/20 | 0.64 |
| ▸ | CA9 | Q16790 | 8/20 | 0.64 |
| ▸ | CA1 | P00915 | 6/20 | 0.64 |
| ▸ | CA4 | P22748 | 6/20 | 0.64 |
| ▸ | CA5A | P35218 | 6/20 | 0.64 |
| ▸ | CA7 | P43166 | 6/20 | 0.64 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.64 |
| ▸ | CA3 | P07451 | 5/20 | 0.64 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.64 |
| ▸ | CA2 | P00918 | 4/20 | 0.64 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.60 |
| ▸ | MAOB | P27338 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | GLA | P06280 | 3/20 | 0.55 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL3326190 | 0.82 | CA12 (0.77) | CA12CA9CA1CA4CA5A | |
| SCHEMBL2978737 | 0.82 | CA12 (0.62) | CA12CA9CA1CA4CA5A | |
| SCHEMBL29603488 | 0.82 | CA12 (0.77) | CA12CA9CA1CA4CA5A | |
| SCHEMBL4013360 | 0.82 | CA12 (0.62) | CA12CA9CA1CA4CA5A | |
| SCHEMBL295803 | 0.82 | CA12 (0.77) | CA12CA9CA1CA4CA5A | |
| SCHEMBL8750116 | 0.82 | CA12 (0.62) | CA12CA9CA1CA4CA5A | |
| SCHEMBL24017191 | 0.81 | CA12 (0.60) | CA12CA9CA1CA4CA5A | |
| SCHEMBL24017189 | 0.80 | CA12 (0.55) | CA12CA9CA1CA4CA5A | |
| SCHEMBL16271239 | 0.79 | SRD5A1 (0.60) | CA12CA9CA1CA4CA5A | |
| SCHEMBL13194963 | 0.79 | MAOB (0.65) | CA12CA9CA1CA4CA5A |
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 |
|---|---|---|---|---|---|---|---|
| CN-105801544-A | 3-aryl-4-arylamine-coumarin derivative and preparing method and medical application thereof | 中国药科大学 | 2016-07-27 | — | — | CN | disclosed |