Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL103586 | 0.80 | ALDH1A1 (1.00) | ALDH1A1FEN1HPGDNPC1GLA | |
| Methane SCHEMBL28290707 | 0.78 | ALDH1A1 (0.95) | ALDH1A1FEN1HPGDNPC1GLA | |
| SCHEMBL476873 | 0.75 | ALDH1A1 (0.71) | ALDH1A1HPGDGAAJAK2JAK1 | |
| SCHEMBL16984710 | 0.74 | ALDH1A1 (0.57) | ALDH1A1NPC1MEN1KMT2A | |
| SCHEMBL17981598 | 0.74 | CA12 (0.53) | ALDH1A1HPGDNPC1GAATSHR | |
| SCHEMBL3373195 | 0.74 | CA12 (0.46) | ALDH1A1HPGDGLAGAATSHR | |
| SCHEMBL16797149 | 0.72 | KIF11 (0.42) | ALDH1A1HPGDGLACYP3A4TSHR | |
| SCHEMBL16797148 | 0.72 | CYP1A2 (0.42) | ALDH1A1GLACYP3A4TSHRMEN1 | |
| SCHEMBL29031767 | 0.72 | ALDH1A1 (0.54) | ALDH1A1FEN1HPGDNPC1GLA | |
| SCHEMBL1846335 | 0.72 | ALDH1A1 (0.74) | ALDH1A1FEN1HPGDNPC1GLA |
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-2015052675-A1 | SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2015-04-16 | — | — | WO | disclosed |