Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 5/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20624852 | 0.84 | KDM4E (0.37) | NOTUMSMN1; SMN2LMNANPC1RAB9A | |
| SCHEMBL20599530 | 0.79 | METAP2 (0.33) | NOTUMNPC1RAB9AMAPTPKM | |
| SCHEMBL30240964 | 0.76 | RXRA (0.41) | SMN1; SMN2LMNAMEN1KMT2ARXRA | |
| SCHEMBL30241030 | 0.76 | NOTUM (0.32) | NOTUMRXRARXRBRXRG | |
| SCHEMBL20602082 | 0.76 | NOTUM (0.32) | NOTUMRXRARXRBRXRG | |
| SCHEMBL20602007 | 0.76 | RXRA (0.41) | SMN1; SMN2MAPTMEN1KMT2ARXRA | |
| SCHEMBL20601755 | 0.76 | RXRA (0.41) | SMN1; SMN2LMNAMEN1KMT2ARXRA | |
| SCHEMBL20599371 | 0.74 | NOTUM (0.30) | NOTUM | |
| SCHEMBL14026818 | 0.74 | NOTUM (0.60) | NOTUMSMN1; SMN2LMNANPC1RAB9A | |
| SCHEMBL9830387 | 0.70 | NOTUM (1.00) | NOTUMLMNAKDM4ERXRARXRB |
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-2019005589-A1 | 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2019-01-03 | — | — | WO | disclosed |