Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL22516485 | 0.82 | GALR3 (0.51) | ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD | |
| SCHEMBL23555769 | 0.81 | KDM4E (0.55) | ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD | |
| SCHEMBL23555767 | 0.77 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD | |
| SCHEMBL23555556 | 0.76 | TP53 (0.57) | SMN1; SMN2MEN1KMT2ALMNAHDAC6 | |
| SCHEMBL23555766 | 0.75 | KDM4E (0.51) | ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD | |
| SCHEMBL23555765 | 0.75 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD | |
| SCHEMBL15215746 | 0.73 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD | |
| SCHEMBL23555541 | 0.72 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD | |
| SCHEMBL23555535 | 0.71 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD | |
| SCHEMBL17807866 | 0.70 | TNF (0.52) | ALDH1A1KDM4EHPGDMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021127071-A1 | BICYCLIC HETEROCYCLE COMPOUNDS METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES | MERCK SHARP & DOHME CORP. (US) | 2021-06-24 | — | — | WO | disclosed |