Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3675541 | 0.81 | KMT2A (0.39) | ALDH1A1KDM4EPOLBMAPTGAA | |
| SCHEMBL23638492 | 0.78 | MAPT (0.34) | ALDH1A1KDM4EPOLBMAPTLMNA | |
| SCHEMBL11929541 | 0.76 | ALDH1A1 (0.59) | ALDH1A1KDM4EPOLBMAPTCYP1A2 | |
| SCHEMBL21384157 | 0.76 | KDM4E (0.55) | ALDH1A1KDM4EPOLBMAPTCYP1A2 | |
| SCHEMBL27739339 | 0.75 | KDM4E (0.58) | ALDH1A1KDM4EPOLBMAPTCYP1A2 | |
| SCHEMBL11929547 | 0.73 | ALDH1A1 (0.51) | ALDH1A1KDM4EPOLBMAPTCYP1A2 | |
| SCHEMBL16075165 | 0.73 | KDM4E (0.51) | ALDH1A1KDM4EPOLBMAPTCYP1A2 | |
| SCHEMBL11929544 | 0.73 | KDM4E (0.56) | ALDH1A1KDM4EPOLBMAPTCYP1A2 | |
| SCHEMBL15798997 | 0.73 | NPC1 (0.44) | POLBLMNAHTTSMN1; SMN2TP53 | |
| SCHEMBL2636371 | 0.73 | ALDH1A1 (0.51) | ALDH1A1KDM4EPOLBMAPTCYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021139775-A1 | PYRIDONE COMPOUND AND APPLICATION | 江苏先声药业有限公司 | 2021-07-15 | — | — | WO | disclosed |
| EP-2789606-B1 | Modulators of CFTR | VERTEX PHARMA (US) | 2017-11-15 | — | — | EP | disclosed |
| WO-2008141119-A2 | MODULATORS OF CFTR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-11-20 | — | — | WO | disclosed |