Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 6/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | TLR4 | O00206 | 3/20 | 0.40 |
| ▸ | TLR2 | O60603 | 3/20 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28065160 | 0.82 | FBP1 (0.46) | FBP1HSP90AA1ALDH1A1NPSR1LMNA | |
| Chlorobenzene SCHEMBL27364559 | 0.80 | FBP1 (0.50) | FBP1HSP90AA1TSHRALDH1A1NPSR1 | |
| Chlorobenzene SCHEMBL4617117 | 0.78 | TSHR (0.58) | FBP1TSHRALDH1A1LMNAMAPT | |
| Chlorobenzene SCHEMBL28156397 | 0.75 | FBP1 (0.42) | FBP1HSP90AA1TSHRALDH1A1NPSR1 | |
| SCHEMBL1117829 | 0.75 | — | — | |
| SCHEMBL420900 | 0.75 | — | — | |
| SCHEMBL420901 | 0.75 | — | — | |
| Chlorobenzene SCHEMBL11291900 | 0.73 | TSHR (0.58) | FBP1TSHRALDH1A1LMNAG6PD | |
| Chlorobenzene SCHEMBL27337663 | 0.73 | TSHR (0.65) | TSHRALDH1A1LMNAMEN1KMT2A | |
| Chlorobenzene SCHEMBL27690258 | 0.72 | TSHR (0.50) | FBP1TSHRALDH1A1LMNAHPGD |
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-105517994-A | Preparation of chiral 1-methyl-2,3,4,5-1H-benzodiazepines via asymmetric reduction of alpha-substituted styrenes | LEK PHARMACEUTICALS | 2016-04-20 | — | — | CN | disclosed |