Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | LOX | P28300 | 1/20 | 0.33 |
| ▸ | PHGDH | O43175 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8196956 | 0.88 | CA2 (0.36) | LMNAKCNH2KMT2A | |
| SCHEMBL8196171 | 0.86 | ALDH1A1 (0.35) | ALDH1A1LMNAHPGDSMN1; SMN2KDM4E | |
| SCHEMBL8196687 | 0.79 | PTGS2 (0.41) | ALDH1A1LMNASMN1; SMN2RAB9AHTT | |
| SCHEMBL8201820 | 0.77 | RAB9A (0.43) | LMNAHPGDSMN1; SMN2KDM4ENPC1 | |
| SCHEMBL8196062 | 0.75 | ALDH1A1 (0.46) | ALDH1A1LMNAHPGDSMN1; SMN2NPC1 | |
| SCHEMBL8195776 | 0.74 | CA2 (0.41) | LMNAKDM4ENPC1MAPTKMT2A | |
| SCHEMBL8196005 | 0.73 | MEN1 (0.39) | ALDH1A1SMN1; SMN2HTTKMT2AGAA | |
| SCHEMBL8197054 | 0.73 | ALDH1A1 (0.46) | ALDH1A1LMNAHPGDSMN1; SMN2KDM4E | |
| SCHEMBL8199744 | 0.73 | RPS6KA3 (0.32) | — | |
| SCHEMBL8196010 | 0.72 | CA2 (0.43) | LMNANPC1KMT2ALOXGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000018741-A2 | PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-06 | — | — | WO | disclosed |