Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | SLC34A1 | Q06495 | 4/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
| ▸ | FNTB | P49356 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7460449 | 0.88 | PDE4D (0.52) | KDM4ESMN1; SMN2HTTMAPK10SLC34A1 | |
| SCHEMBL7455310 | 0.83 | FNTA (0.44) | KDM4ESMN1; SMN2HTTMAPK10SLC34A1 | |
| SCHEMBL7463609 | 0.82 | SMN1; SMN2 (0.62) | KDM4ESMN1; SMN2HTTMAPK10PDE4D | |
| SCHEMBL5937229 | 0.80 | ALDH1A1 (0.53) | KDM4ESMN1; SMN2MAPK10SLC34A1TRPA1 | |
| SCHEMBL5937404 | 0.77 | KDM4E (0.43) | KDM4ESMN1; SMN2MAPK10SLC34A1TRPA1 | |
| SCHEMBL10924549 | 0.77 | KDM4E (0.47) | KDM4ESMN1; SMN2HTTMAPK10HPGDS | |
| SCHEMBL10924593 | 0.76 | HPGDS (0.56) | KDM4ESMN1; SMN2HTTADORA3HPGDS | |
| SCHEMBL7469942 | 0.73 | SMN1; SMN2 (0.48) | KDM4ESMN1; SMN2HTTMAPK10SLC34A1 | |
| SCHEMBL5937220 | 0.72 | ALPL (0.70) | SMN1; SMN2HPGDSL3MBTL1ALDH1A1LMNA | |
| SCHEMBL4352449 | 0.72 | KDM4E (0.51) | KDM4ESMN1; SMN2TRPA1L3MBTL1ALDH1A1 |
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-1228043-A1 | ISOQUINOLINE AND QUINAZOLINE DEIVATIVES HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001032626-A1 | ISOQUINOLINE AND QUINAZOLINE DERIVATIVES HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ACTIVITY | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-05-10 | — | — | WO | disclosed |