Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL22134876 | 0.75 | — | — | |
| SCHEMBL2499343 | 0.75 | NOS2 (0.33) | ALDH1A1L3MBTL1 | |
| SCHEMBL1248241 | 0.75 | MEN1 (0.31) | ALDH1A1TDP1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL28450806 | 0.73 | NOS2 (0.32) | ALDH1A1KDM4EMEN1HPGDKMT2A | |
| Hydrochloric Acid SCHEMBL29848740 | 0.73 | NOS2 (0.32) | ALDH1A1KDM4EMEN1HPGDKMT2A | |
| SCHEMBL27344013 | 0.71 | MAOA (0.31) | — | |
| SCHEMBL28456568 | 0.70 | — | — | |
| SCHEMBL4186548 | 0.69 | PTPRC (0.40) | ALDH1A1TDP1MEN1KMT2AL3MBTL1 | |
| SCHEMBL27967147 | 0.69 | — | — | |
| SCHEMBL8864642 | 0.68 | PTPN1 (0.38) | ALDH1A1CYP3A4KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2316834-A1 | Thiadiazoles or oxadiazoles and their use as inhibitors of JAK protein kinase | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |