Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | CASP2 | P42575 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7505403 | 0.89 | KDM4E (0.41) | ALDH1A1NPSR1KDM4EMEN1NPC1 | |
| SCHEMBL7505400 | 0.89 | KDM4E (0.41) | ALDH1A1NPSR1KDM4EMEN1NPC1 | |
| SCHEMBL7513274 | 0.85 | KMT2A (0.41) | ALDH1A1NPSR1KDM4EMEN1NPC1 | |
| SCHEMBL7508742 | 0.84 | NPSR1 (0.40) | ALDH1A1NPSR1KDM4EMEN1NPC1 | |
| SCHEMBL7507607 | 0.84 | RAB9A (0.45) | ALDH1A1NPSR1KDM4EMEN1NPC1 | |
| SCHEMBL7503533 | 0.83 | MEN1 (0.42) | ALDH1A1NPSR1KDM4EMEN1NPC1 | |
| SCHEMBL7503527 | 0.83 | MEN1 (0.42) | ALDH1A1NPSR1KDM4EMEN1NPC1 | |
| SCHEMBL7512424 | 0.83 | MEN1 (0.42) | ALDH1A1NPSR1KDM4EMEN1NPC1 | |
| SCHEMBL7508042 | 0.83 | ALDH1A1 (0.50) | ALDH1A1NPSR1MEN1MAPTKMT2A | |
| SCHEMBL7503003 | 0.83 | KDM4E (0.54) | ALDH1A1NPSR1KDM4EMEN1NPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1001934-B1 | INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2002-11-27 | — | — | EP | disclosed |
| US-6300363-B1 | USEFUL IN THE TREATMENT OR ALLEVIATION OF INFLAMMATION AND OTHER INFLAMMATION ASSOCIATED DISORDERS IN MAMMALS | PFIZER INC. | 2001-10-09 | — | — | US | disclosed |
| EP-1001934-A1 | INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999005104-A1 | INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 1999-02-04 | — | — | WO | disclosed |