Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.75 |
| ▸ | TSHR | P16473 | 2/20 | 0.75 |
| ▸ | MAPT | P10636 | 2/20 | 0.66 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.66 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.64 |
| ▸ | TP53 | P04637 | 2/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.63 |
| ▸ | HPGD | P15428 | 3/20 | 0.63 |
| ▸ | MEN1 | O00255 | 3/20 | 0.63 |
| ▸ | NPC1 | O15118 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.63 |
| ▸ | HTT | P42858 | 2/20 | 0.62 |
| ▸ | ESR1 | P03372 | 2/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL22071795 | 0.85 | ALDH1A1 (0.82) | ALDH1A1TSHRMAPTCREBBPHSD17B10 | |
| SCHEMBL22042856 | 0.83 | TSHR (0.74) | ALDH1A1TSHRMAPTCREBBPHSD17B10 | |
| SCHEMBL19342077 | 0.83 | ALDH1A1 (0.79) | ALDH1A1TSHRMAPTCREBBPHSD17B10 | |
| SCHEMBL19342110 | 0.82 | DAPK3 (0.78) | ALDH1A1TSHRMAPTCREBBPHSD17B10 | |
| SCHEMBL19342064 | 0.81 | TSHR (0.71) | ALDH1A1TSHRMAPTCREBBPHSD17B10 | |
| SCHEMBL19342093 | 0.81 | L3MBTL1 (0.75) | ALDH1A1TSHRMAPTCREBBPHSD17B10 | |
| SCHEMBL19342086 | 0.79 | KMT2A (0.81) | ALDH1A1TSHRMAPTCREBBPHSD17B10 | |
| SCHEMBL22071798 | 0.78 | L3MBTL1 (1.00) | ALDH1A1TSHRMAPTCREBBPHSD17B10 | |
| SCHEMBL19342080 | 0.78 | ALDH1A1 (0.70) | ALDH1A1TSHRMAPTCREBBPHSD17B10 | |
| SCHEMBL28782970 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TSHRMAPTCREBBPHSD17B10 |
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-3892622-A1 | COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF | Korea Research Institute of Chemical Technology (KR) | 2021-10-13 | — | — | EP | disclosed |