Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 6/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.38 |
| ▸ | CPT2 | P23786 | 1/20 | 0.38 |
| ▸ | CPT1A | P50416 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL99105 | 0.84 | GRM5 (0.45) | GRM5CHRNB2CHRNA5CHRNA4S1PR1 | |
| SCHEMBL26654199 | 0.84 | GRM5 (0.45) | GRM5CHRNB2CHRNA5CHRNA4S1PR1 | |
| SCHEMBL18638700 | 0.82 | GRM5 (0.43) | GRM5CHRNB2CHRNA5CHRNA4S1PR1 | |
| SCHEMBL100554 | 0.74 | S1PR1 (0.58) | GRM5CHRNB2CHRNA5CHRNA4S1PR1 | |
| SCHEMBL16691082 | 0.73 | GRM5 (0.53) | GRM5 | |
| Trifluoroacetic Acid SCHEMBL4096255 | 0.69 | S1PR3 (0.49) | GRM5CHRNB2CHRNA5CHRNA4S1PR1 | |
| SCHEMBL1544854 | 0.69 | NOTUM (0.60) | GRM5CHRNB2CHRNA5CHRNA4CLK4 | |
| SCHEMBL4192743 | 0.68 | GRM5 (1.00) | GRM5CHRNB2CHRNA5CHRNA4MAPK1 | |
| SCHEMBL1423089 | 0.68 | CHRNB2 (0.78) | GRM5CHRNB2CHRNA5CHRNA4CLK4 | |
| SCHEMBL30065433 | 0.67 | CHRNB2 (1.00) | GRM5CHRNB2CHRNA5CHRNA4S1PR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3184526-A1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR | Incyte Holdings Corporation (US) | 2017-06-28 | — | — | EP | disclosed |
| EP-2348023-B9 | Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors | INCYTE HOLDINGS CORP (US) | 2017-03-08 | — | — | EP | disclosed |