Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.57 |
| ▸ | CA1 | P00915 | 4/20 | 0.57 |
| ▸ | CA2 | P00918 | 4/20 | 0.57 |
| ▸ | CA7 | P43166 | 4/20 | 0.57 |
| ▸ | CA9 | Q16790 | 4/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.57 |
| ▸ | TYR | P14679 | 3/20 | 0.57 |
| ▸ | MMP1 | P03956 | 1/20 | 0.56 |
| ▸ | MMP2 | P08253 | 1/20 | 0.56 |
| ▸ | MMP9 | P14780 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.55 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.53 |
| ▸ | CTSL | P07711 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | F3 | P13726 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28536397 | 0.93 | HSD11B1 (0.62) | KMT2AMEN1MAPTHSD11B1CTSL | |
| SCHEMBL29009143 | 0.91 | CA12 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27737751 | 0.85 | KMT2A (0.54) | KMT2AMEN1MAPTHSD11B1CTSL | |
| SCHEMBL28542113 | 0.85 | KMT2A (0.57) | KMT2AMEN1MAPTHSD11B1CTSL | |
| SCHEMBL149407 | 0.85 | CA12 (0.72) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5966380 | 0.85 | CA12 (0.72) | CA12CA1CA2CA7CA9 | |
| SCHEMBL679710 | 0.85 | CA12 (0.72) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14877836 | 0.83 | MAPT (0.77) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20102637 | 0.83 | ESR1 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL22005455 | 0.83 | MAPT (0.77) | CA12CA1CA2CA7CA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112624927-B | TRPV3 inhibitor and preparation method thereof | 青岛大学 | 2023-07-21 | — | — | CN | disclosed |
| CN-112691099-B | Application of organic compound in preparation of medicine for treating colon cancer | 青岛大学 | 2022-09-30 | — | — | CN | disclosed |
| CN-112691099-A | Application of organic compound in preparation of medicine for treating colon cancer | 青岛大学 | 2021-04-23 | — | — | CN | disclosed |
| CN-112624927-A | TRPV3 inhibitor and preparation method thereof | 青岛大学 | 2021-04-09 | — | — | CN | disclosed |