Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 6/20 | 0.38 |
| ▸ | RAB9A | P51151 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL1919495 | 0.79 | HPGDS (0.52) | PIN1BRD4HPGDSADRA1AADRA1D | |
| SCHEMBL739276 | 0.78 | NPC1 (0.53) | PIN1BRD4SMN1; SMN2HPGDSADRA1A | |
| SCHEMBL30457886 | 0.78 | NPC1 (0.53) | PIN1BRD4SMN1; SMN2HPGDSADRA1A | |
| SCHEMBL314058 | 0.78 | TDP1 (0.42) | PIN1BRD4HPGDSADRA1AADRA1D | |
| SCHEMBL31734567 | 0.77 | BRD4 (0.41) | PIN1BRD4LMNASMN1; SMN2HPGDS | |
| SCHEMBL30792106 | 0.77 | MAP4K4 (0.44) | PIN1BRD4HPGDSADRA1AADRA1D | |
| SCHEMBL26259967 | 0.75 | BRD4 (0.53) | PIN1BRD4LMNASMN1; SMN2HPGDS | |
| SCHEMBL24097956 | 0.73 | BRD4 (0.41) | PIN1BRD4HPGDSADRA1AADRA1D | |
| SCHEMBL31571148 | 0.73 | ALOX15 (0.46) | BRD4SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL1600286 | 0.73 | ALOX15 (0.46) | BRD4SMN1; SMN2NPC1RAB9AMAPT |
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-2019000238-A1 | 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2019-01-03 | — | — | WO | disclosed |