Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.36 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6375685 | 0.82 | ALDH1A1 (0.45) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 | |
| SCHEMBL19007840 | 0.80 | ALDH1A1 (0.46) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 | |
| SCHEMBL6255904 | 0.80 | ALDH1A1 (0.45) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 | |
| SCHEMBL6255913 | 0.80 | ALDH1A1 (0.45) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 | |
| SCHEMBL8444365 | 0.76 | ALDH1A1 (0.50) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 | |
| SCHEMBL9228435 | 0.75 | ALDH1A1 (0.41) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 | |
| SCHEMBL989683 | 0.74 | CCR6 (0.45) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 | |
| SCHEMBL5969414 | 0.74 | ALDH1A1 (0.51) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 | |
| SCHEMBL8446206 | 0.74 | ALDH1A1 (0.51) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 | |
| SCHEMBL7358565 | 0.73 | CCR6 (0.39) | ALDH1A1KMT2ATDP1SLC6A2SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0428849-A2 | Retroviral protease inhibitors | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-05-29 | — | — | EP | claimed |
| EP-0428849-A2 | Retroviral protease inhibitors | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-05-29 | — | — | EP | disclosed |