Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | GGT1 | P19440 | 1/20 | 0.30 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28436253 | 0.90 | ALDH1A1 (0.36) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| SCHEMBL6469110 | 0.87 | ALDH1A1 (0.38) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| SCHEMBL525645 | 0.86 | AKR1B1 (0.34) | ALDH1A1MEN1KMT2ATSHRHSD17B10 | |
| SCHEMBL27622583 | 0.86 | CYP2D6 (0.35) | TSHRCYP2D6CYP2C19HIF1A | |
| SCHEMBL11134442 | 0.85 | ALDH1A1 (0.37) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| SCHEMBL276477 | 0.85 | TSHR (0.40) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| SCHEMBL27944174 | 0.85 | ALDH1A1 (0.31) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| Bicarbonate SCHEMBL12502157 | 0.85 | AKR1B1 (0.33) | ALDH1A1MEN1KMT2ATSHRHSD17B10 | |
| SCHEMBL27603862 | 0.84 | — | — | |
| SCHEMBL28723782 | 0.84 | ALDH1A1 (0.33) | ALDH1A1MEN1CYP1A2THRBKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-102271677-A | 3.1.0 bicyclic glyt1 inhibitors and methods of making and using same | — | 2011-12-07 | — | — | CN | disclosed |