Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5311599 | 0.91 | MAPK14 (0.36) | MAPK14ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL14542427 | 0.88 | NPC1 (0.45) | CA12CA9NPC1RAB9ANPSR1 | |
| SCHEMBL5370148 | 0.86 | TP53 (0.44) | CA12CA9NPC1RAB9ANPSR1 | |
| SCHEMBL5372491 | 0.84 | NPSR1 (0.39) | CA12CA9NPC1RAB9ANPSR1 | |
| SCHEMBL5309300 | 0.84 | NPC1 (0.40) | CA12CA9NPC1RAB9ANPSR1 | |
| SCHEMBL14542210 | 0.82 | CA12 (0.41) | CA12CA9NPC1RAB9ANPSR1 | |
| SCHEMBL14542324 | 0.82 | TP53 (0.41) | CA12CA9NPC1RAB9ANPSR1 | |
| SCHEMBL5309136 | 0.81 | CA12 (0.40) | CA12CA9NPC1RAB9ANPSR1 | |
| SCHEMBL5312718 | 0.81 | TP53 (0.42) | CA12CA9NPC1RAB9ANPSR1 | |
| SCHEMBL5371592 | 0.81 | CA12 (0.40) | CA12CA9NPC1RAB9ANPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007039146-A1 | 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-04-12 | — | — | WO | disclosed |
| WO-2007039146-A1 | 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-04-12 | — | — | WO | disclosed |