Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 14/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CCR6 | P51684 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.38 |
| ▸ | TLR4 | O00206 | 2/20 | 0.36 |
| ▸ | TLR2 | O60603 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | VCP | P55072 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1117829 | 0.91 | — | — | |
| SCHEMBL420900 | 0.91 | — | — | |
| SCHEMBL420901 | 0.91 | — | — | |
| Bicarbonate SCHEMBL4299701 | 0.86 | FBP1 (0.38) | FBP1ALDH1A1MEN1KMT2AMAPT | |
| Chlorobenzene SCHEMBL28065157 | 0.82 | FBP1 (0.50) | FBP1ALDH1A1HSP90AA1LMNASMN1; SMN2 | |
| Ethylene Glycol SCHEMBL23721619 | 0.78 | ALDH1A1 (0.38) | FBP1ALDH1A1VCP | |
| SCHEMBL10528655 | 0.76 | FBP1 (0.30) | FBP1 | |
| SCHEMBL13214996 | 0.71 | — | — | |
| SCHEMBL10909800 | 0.71 | — | — | |
| SCHEMBL10909794 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105745327-A | High-yield route for producing compounds from renewable resources | 兹莫克姆有限公司 | 2016-07-06 | — | — | CN | disclosed |
| 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 |