Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5236797 | 0.92 | — | — | |
| SCHEMBL5233446 | 0.92 | NPC1 (0.35) | NPC1RAB9AADORA3ALDH1A1GLA | |
| SCHEMBL5234344 | 0.91 | ESRRA (0.31) | — | |
| SCHEMBL5239459 | 0.91 | KDM4E (0.33) | NPC1RAB9AALDH1A1KMT2ACA12 | |
| SCHEMBL5231776 | 0.91 | ESRRA (0.32) | NPC1RAB9AALDH1A1NPSR1MEN1 | |
| SCHEMBL5232934 | 0.90 | KDM4E (0.30) | ALDH1A1KDM4E | |
| SCHEMBL5238208 | 0.90 | ALDH1A1 (0.38) | NPC1RAB9AALDH1A1SMN1; SMN2CA12 | |
| SCHEMBL5234129 | 0.90 | ADORA3 (0.37) | ADORA3ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL5233835 | 0.90 | KCNJ1 (0.32) | ALDH1A1SMN1; SMN2MEN1KMT2ANAMPT | |
| SCHEMBL5229086 | 0.90 | — | — |
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-1730116-B1 | 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORP (US) | 2007-09-05 | — | — | EP | claimed |