Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | TDO2 | P48775 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1670126 | 0.88 | L3MBTL1 (0.55) | ALDH1A1TDP1L3MBTL1ESR1TP53 | |
| SCHEMBL21629508 | 0.84 | TDP1 (0.43) | ALDH1A1TDP1L3MBTL1ESR1TP53 | |
| SCHEMBL6946054 | 0.83 | ALDH1A1 (0.45) | ALDH1A1TDP1L3MBTL1ESR1TP53 | |
| SCHEMBL28174969 | 0.80 | ALDH1A1 (0.51) | ALDH1A1TDP1L3MBTL1ESR1TP53 | |
| SCHEMBL14205876 | 0.79 | KMT2A (0.40) | ALDH1A1TDP1L3MBTL1ESR1TP53 | |
| SCHEMBL28088889 | 0.77 | PKM (0.40) | ALDH1A1TDP1L3MBTL1ESR1TP53 | |
| SCHEMBL132741 | 0.76 | ALDH1A1 (0.47) | ALDH1A1TDP1L3MBTL1ESR1TP53 | |
| SCHEMBL27899932 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TDP1L3MBTL1ESR1TP53 | |
| SCHEMBL12948206 | 0.74 | PRKCI (0.43) | ALDH1A1TDP1L3MBTL1ESR1TP53 | |
| SCHEMBL18598999 | 0.71 | CTRC (0.38) | ALDH1A1POLBKDM4EHSD17B10KMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0985666-B1 | Substituted indole compounds as COX-2 inhibitors | PFIZER (US) | 2003-11-05 | — | — | EP | disclosed |
| 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 |
| US-6277878-B1 | ANTIINFLAMMATORY AGENTS; ANALGESICS | PFIZER INC | 2001-08-21 | — | — | US | disclosed |
| EP-1001934-A1 | INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 2000-05-24 | — | — | EP | disclosed |
| EP-0985666-A1 | Substituted indole compounds as COX-2 inhibitors | PFIZER INC. (US) | 2000-03-15 | — | — | EP | disclosed |
| WO-1999005104-A1 | INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 1999-02-04 | — | — | WO | disclosed |