Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | AHR | P35869 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | CCR8 | P51685 | 1/20 | 0.40 |
| ▸ | METAP1 | P53582 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.40 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15160582 | 1.00 | SMN1; SMN2 (0.54) | SMN1; SMN2L3MBTL1AHRCHRM2KDM4E | |
| SCHEMBL29603679 | 0.86 | SMN1; SMN2 (0.54) | SMN1; SMN2L3MBTL1AHRCHRM2KDM4E | |
| SCHEMBL13237137 | 0.86 | SMN1; SMN2 (0.54) | SMN1; SMN2L3MBTL1AHRCHRM2KDM4E | |
| SCHEMBL16132511 | 0.86 | SMN1; SMN2 (0.54) | SMN1; SMN2L3MBTL1AHRCHRM2KDM4E | |
| SCHEMBL30020222 | 0.82 | SMN1; SMN2 (0.50) | SMN1; SMN2L3MBTL1AHRCHRM2KDM4E | |
| SCHEMBL21742080 | 0.82 | SMN1; SMN2 (0.50) | SMN1; SMN2L3MBTL1AHRCHRM2KDM4E | |
| SCHEMBL18680113 | 0.82 | SMN1; SMN2 (0.50) | SMN1; SMN2L3MBTL1AHRCHRM2KDM4E | |
| SCHEMBL21742110 | 0.82 | SMN1; SMN2 (0.50) | SMN1; SMN2L3MBTL1AHRCHRM2KDM4E | |
| SCHEMBL3718198 | 0.82 | SMN1; SMN2 (0.50) | SMN1; SMN2L3MBTL1AHRCHRM2KDM4E | |
| Methyl Alcohol SCHEMBL28509180 | 0.81 | SMN1; SMN2 (0.60) | SMN1; SMN2L3MBTL1AHRKDM4ELMNA |
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-2022166796-A1 | PYRIMIDINE OR PYRIDINE AND HETEROCYCLIC ADENOSINE RECEPTOR INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海齐鲁制药研究中心有限公司 | 2022-08-11 | — | — | WO | disclosed |