Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | MMP9 | P14780 | 2/20 | 0.46 |
| ▸ | MMP12 | P39900 | 2/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GCGR | P47871 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL26783221 | 0.83 | ALDH1A1 (0.51) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL2514087 | 0.81 | MMP2 (0.52) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL9590512 | 0.78 | ALDH1A1 (0.55) | ALDH1A1KMT2AL3MBTL1TSHRCYP3A4 | |
| SCHEMBL395837 | 0.77 | NPC1 (0.52) | ALDH1A1KMT2ATSHRPOLBRAB9A | |
| SCHEMBL27706685 | 0.76 | CA12 (0.45) | MMP2MMP9MMP12MMP1LMNA | |
| SCHEMBL4007621 | 0.76 | ALDH1A1 (0.69) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL9788724 | 0.75 | ALDH1A1 (0.68) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL898721 | 0.75 | ALDH1A1 (0.68) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL2588443 | 0.75 | ALDH1A1 (0.72) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL22479155 | 0.75 | ALDH1A1 (0.49) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0826671-A1 | HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME | THE GREEN CROSS CORPORATION (JP) | 1998-03-04 | — | — | EP | disclosed |