Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 5/20 | 0.37 |
| ▸ | CA2 | P00918 | 6/20 | 0.37 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7364054 | 0.79 | LMNA (0.46) | ALDH1A1TDP1CA9CA2CA1 | |
| SCHEMBL7364050 | 0.79 | CA9 (0.37) | TDP1CA9CA2CA1KMT2A | |
| SCHEMBL27460156 | 0.79 | CA2 (0.57) | TDP1CA9CA2CA1KMT2A | |
| SCHEMBL11567649 | 0.79 | ENPP2 (0.45) | CA9CA2CA1CA12MAPT | |
| SCHEMBL7364052 | 0.78 | LMNA (0.45) | ALDH1A1TDP1CA9CA2CA1 | |
| SCHEMBL7078201 | 0.76 | MAPT (0.49) | ALDH1A1TDP1CA2CA1KMT2A | |
| SCHEMBL31732365 | 0.75 | ALDH1A1 (0.38) | ALDH1A1HSD17B10TDP1CA9CA2 | |
| SCHEMBL651902 | 0.74 | ALDH1A1 (0.71) | ALDH1A1HSD17B10TDP1CA9CA2 | |
| SCHEMBL5625358 | 0.73 | CA1 (0.55) | ALDH1A1TDP1CA9CA2CA1 | |
| SCHEMBL6399598 | 0.73 | CTSD (0.48) | ALDH1A1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1086076-A1 | SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE | Vertex Pharmaceuticals Incorporated (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999065870-A2 | SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-12-23 | — | — | WO | disclosed |