Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 3/20 | 0.63 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.62 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 7/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.58 |
| ▸ | MEN1 | O00255 | 6/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CASP7 | P55210 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.49 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | AR | P10275 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL16634860 | 1.00 | HCAR3 (0.63) | HCAR3AKR1C3AKR1C2MAPTALDH1A1 | |
| SCHEMBL27496168 | 0.90 | AKR1C3 (0.56) | HCAR3AKR1C3AKR1C2MAPTALDH1A1 | |
| SCHEMBL16634619 | 0.84 | HCAR3 (0.53) | HCAR3AKR1C3AKR1C2MAPTALDH1A1 | |
| SCHEMBL16634621 | 0.84 | HCAR3 (0.53) | HCAR3AKR1C3AKR1C2MAPTALDH1A1 | |
| SCHEMBL9537323 | 0.83 | CASP6 (0.51) | HCAR3MAPTALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL16634569 | 0.82 | KMT2A (0.57) | HCAR3MAPTALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL16634745 | 0.82 | ALDH1A1 (0.54) | HCAR3MAPTALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL16634593 | 0.82 | HCAR3 (0.57) | HCAR3AKR1C3AKR1C2MAPTALDH1A1 | |
| SCHEMBL16634595 | 0.82 | HCAR3 (0.57) | HCAR3AKR1C3AKR1C2MAPTALDH1A1 | |
| SCHEMBL16634572 | 0.82 | KMT2A (0.57) | HCAR3MAPTALDH1A1SMN1; SMN2KMT2A |
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 |