Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.42 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL22255199 | 0.89 | KDM4E (0.50) | ALDH1A1LMNAHTTSMN1; SMN2KDM4E | |
| SCHEMBL17115796 | 0.80 | — | — | |
| SCHEMBL22242106 | 0.79 | SMN1; SMN2 (0.49) | ALDH1A1LMNAHTTSMN1; SMN2KDM4E | |
| SCHEMBL4419213 | 0.79 | ALDH1A1 (0.53) | ALDH1A1LMNAHTTSMN1; SMN2KDM4E | |
| SCHEMBL10336052 | 0.77 | HCAR3 (0.40) | TLR8HRH4HCAR3 | |
| SCHEMBL24347349 | 0.77 | TLR8 (0.38) | TLR8HRH4HCAR3CREBBP | |
| SCHEMBL22253416 | 0.76 | ALDH1A1 (0.46) | ALDH1A1LMNAHTTSMN1; SMN2KDM4E | |
| SCHEMBL15885943 | 0.76 | ALDH1A1 (0.46) | ALDH1A1LMNAHTTSMN1; SMN2KDM4E | |
| SCHEMBL21061054 | 0.75 | ALDH1A1 (0.45) | ALDH1A1LMNAHTTSMN1; SMN2KDM4E | |
| SCHEMBL24347367 | 0.75 | SMN1; SMN2 (0.45) | ALDH1A1LMNAHTTSMN1; SMN2KDM4E |
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-2021146629-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | NUVATION BIO INC. (US) | 2021-07-22 | — | — | WO | disclosed |