Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | MAPT | P10636 | 8/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CCR6 | P51684 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Fluorobenzene SCHEMBL28155538 | 0.84 | FBP1 (0.42) | FBP1ALDH1A1MAPTMEN1KMT2A | |
| Chlorobenzene SCHEMBL28065157 | 0.75 | FBP1 (0.50) | FBP1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL28155534 | 0.73 | FBP1 (0.49) | FBP1ALDH1A1MAPTMEN1KMT2A | |
| Chlorobenzene SCHEMBL28305002 | 0.73 | ADH1B (0.47) | ALDH1A1MAPTMEN1KMT2APOLB | |
| Chlorobenzene SCHEMBL28283913 | 0.73 | ALDH1A1 (0.48) | ALDH1A1MAPTMEN1KMT2AHTT | |
| SCHEMBL2578583 | 0.73 | ADH1B (0.52) | FBP1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL2572414 | 0.73 | ADH1B (0.52) | FBP1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL2572416 | 0.73 | ADH1B (0.52) | FBP1ALDH1A1MAPTMEN1KMT2A | |
| Chlorobenzene SCHEMBL27364559 | 0.72 | FBP1 (0.50) | FBP1ALDH1A1MAPTMEN1KMT2A | |
| Chlorobenzene SCHEMBL28171619 | 0.71 | ALDH1A1 (0.42) | ALDH1A1MAPTMEN1KMT2ANPSR1 |
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-106831532-A | Full substitution 3 nitroindoline compounds and its midbody compound, preparation method and application | 云南大学 | 2017-06-13 | — | — | CN | disclosed |