Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13894961 | 0.78 | CHRNB2 (0.35) | CHRNB2CHRNA4MEN1KMT2AACHE | |
| SCHEMBL14641002 | 0.78 | HTR2C (0.41) | HTR2CCHRNB2CHRNA4MEN1KMT2A | |
| SCHEMBL13070499 | 0.76 | ACHE (0.38) | HTR2CCHRNB2CHRNA4EPHX2MEN1 | |
| SCHEMBL28302528 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL10364335 | 0.71 | MEN1 (0.35) | HTR2CMEN1KMT2AACHECYP1A2 | |
| SCHEMBL24857876 | 0.71 | MEN1 (0.35) | HTR2CMEN1KMT2AACHECYP1A2 | |
| SCHEMBL12240339 | 0.69 | ACHE (0.42) | EPHX2ACHECA1CA2HPGD | |
| SCHEMBL12240335 | 0.69 | ACHE (0.42) | EPHX2ACHECA1CA2HPGD | |
| SCHEMBL7920994 | 0.69 | CHRNB2 (0.35) | HTR2CCHRNB2CHRNA4EPHX2MEN1 | |
| SCHEMBL15582403 | 0.69 | HSD11B1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3097078-B1 | PYRIDINES AND PYRIMIDINES AND USE THEREOF | PURDUE PHARMA LP (US) | 2022-05-25 | — | — | EP | disclosed |