Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | STAT3 | P40763 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6170004 | 1.00 | BACE1 (0.54) | BACE1ALDH1A1MAPTRAB9AATM | |
| SCHEMBL7204425 | 0.89 | PTGS2 (0.50) | BACE1ALDH1A1MAPTRAB9AATM | |
| SCHEMBL7204421 | 0.89 | PTGS2 (0.50) | BACE1ALDH1A1MAPTRAB9AATM | |
| SCHEMBL6171194 | 0.86 | BACE1 (0.54) | BACE1ALDH1A1MAPTRAB9AATM | |
| SCHEMBL3823935 | 0.86 | BACE1 (0.54) | BACE1ALDH1A1MAPTRAB9AATM | |
| SCHEMBL6170174 | 0.84 | BACE1 (0.62) | BACE1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL6172745 | 0.84 | BACE1 (0.68) | BACE1ALDH1A1MAPTRAB9AATM | |
| SCHEMBL6170179 | 0.84 | BACE1 (0.62) | BACE1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL6172741 | 0.84 | BACE1 (0.68) | BACE1ALDH1A1MAPTRAB9AATM | |
| SCHEMBL8112559 | 0.84 | MAPT (0.62) | BACE1ALDH1A1MAPTRAB9AATM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1045833-B1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2005-11-02 | — | — | EP | disclosed |
| US-6608070-B1 | Useful for treatment of medical condition in which prostaglandins are implicated as pathogens | NAKAO KAZUNARI (JP) | 2003-08-19 | — | — | US | disclosed |
| CN-1284064-A | 2,3-substituted indole compounds as cox-2 inhibitors | PFIZER PHARMA (US) | 2001-02-14 | — | — | CN | disclosed |