Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CCR1 | P32246 | 2/20 | 0.38 |
| ▸ | CCR5 | P51681 | 2/20 | 0.38 |
| ▸ | CCR8 | P51685 | 2/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12269043 | 0.90 | ALDH1A1 (0.40) | ALDH1A1KDM4ELMNAMEN1KMT2A | |
| SCHEMBL12269136 | 0.89 | ALDH1A1 (0.37) | ALDH1A1KDM4ELMNAMEN1KMT2A | |
| SCHEMBL13045236 | 0.88 | ALDH1A1 (0.44) | ALDH1A1KDM4EMEN1KMT2ACYP3A4 | |
| SCHEMBL1013928 | 0.84 | CCR1 (0.52) | ALDH1A1KDM4ELMNACYP3A4TSHR | |
| SCHEMBL16483530 | 0.82 | KDM4E (0.38) | ALDH1A1KDM4ELMNAMEN1KMT2A | |
| SCHEMBL17680323 | 0.80 | CCR1 (0.47) | ALDH1A1KDM4ELMNAMEN1KMT2A | |
| SCHEMBL12955205 | 0.80 | CCR1 (0.47) | ALDH1A1KDM4ELMNAMEN1KMT2A | |
| SCHEMBL12955086 | 0.80 | CCR1 (0.55) | ALDH1A1KDM4ELMNAMEN1KMT2A | |
| SCHEMBL30598386 | 0.80 | KDM4E (0.53) | ALDH1A1KDM4ELMNAMEN1KMT2A | |
| SCHEMBL499534 | 0.78 | KDM4E (0.48) | ALDH1A1KDM4ELMNACYP3A4TSHR |
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-106632319-A | 2-(pyrene-1-yl)-1,8-naphthyridine and synthetic method thereof | 赵明根 | 2017-05-10 | — | — | CN | disclosed |
| CN-106632319-A | 2-(pyrene-1-yl)-1,8-naphthyridine and synthetic method thereof | 赵明根 | 2017-05-10 | — | — | CN | disclosed |