Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23723627 | 1.00 | ALDH1A1 (0.48) | ALDH1A1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL15378617 | 0.86 | AGPAT2 (0.50) | ALDH1A1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL11399589 | 0.86 | ALDH1A1 (0.48) | ALDH1A1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL26660394 | 0.85 | ALDH1A1 (0.55) | ALDH1A1HTTRAB9ASMN1; SMN2KMT2A | |
| SCHEMBL17336369 | 0.84 | ALDH1A1 (0.47) | ALDH1A1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL19341421 | 0.83 | ALDH1A1 (0.56) | ALDH1A1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL9823820 | 0.83 | ALDH1A1 (0.52) | ALDH1A1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL19879909 | 0.82 | ALDH1A1 (0.48) | ALDH1A1HTTRAB9ALMNASMN1; SMN2 | |
| SCHEMBL17336404 | 0.82 | ALDH1A1 (0.43) | ALDH1A1HDAC6HTTSMN1; SMN2 | |
| SCHEMBL23723732 | 0.81 | ALDH1A1 (0.48) | ALDH1A1HDAC3HDAC1HDAC2HDAC6 |
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-4100015-A1 | COMBINATION THERAPY FOR TREATING MPS1 | Gain Therapeutics SA (CH) | 2022-12-14 | — | — | EP | disclosed |
| CN-115397423-A | Combination therapy for the treatment of MPS1 | 增益治疗股份有限公司 | 2022-11-25 | — | — | CN | disclosed |