Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | SYK | P43405 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 6/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | FOS | P01100 | 1/20 | 0.49 |
| ▸ | JUN | P05412 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16816475 | 0.89 | ALDH1A1 (0.60) | ALDH1A1SYKMAPK1HTTMAPT | |
| SCHEMBL1679801 | 0.87 | PDE5A (0.59) | ALDH1A1SYKMAPK1HTTMAPT | |
| SCHEMBL31694381 | 0.87 | PDE5A (0.59) | ALDH1A1SYKMAPK1HTTMAPT | |
| SCHEMBL29972749 | 0.87 | PDE5A (0.59) | ALDH1A1SYKMAPK1HTTMAPT | |
| SCHEMBL17013486 | 0.86 | ALDH1A1 (0.59) | ALDH1A1SYKMAPK1HTTMAPT | |
| SCHEMBL16816549 | 0.84 | ALDH1A1 (0.57) | ALDH1A1SYKMAPK1HTTMAPT | |
| SCHEMBL17013474 | 0.83 | ALDH1A1 (0.56) | ALDH1A1SYKMAPK1HTTMAPT | |
| SCHEMBL16815886 | 0.83 | ALDH1A1 (0.55) | ALDH1A1SYKMAPK1HTTMAPT | |
| SCHEMBL4712695 | 0.82 | ALDH1A1 (0.65) | ALDH1A1SYKMAPK1HTTMAPT | |
| SCHEMBL28890958 | 0.82 | ALDH1A1 (0.58) | ALDH1A1SYKMAPK1HTTMAPT |
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-111297868-A | Use of a composition comprising a heterocyclic compound for the manufacture of a medicament for the treatment of phosphodiesterase mediated diseases | 黄泳华 | 2020-06-19 | — | — | CN | claimed |
| CN-111297868-A | Use of a composition comprising a heterocyclic compound for the manufacture of a medicament for the treatment of phosphodiesterase mediated diseases | 黄泳华 | 2020-06-19 | — | — | CN | disclosed |