Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 10/20 | 0.52 |
| ▸ | TTR | P02766 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 3/20 | 0.50 |
| ▸ | TGM2 | P21980 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.47 |
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.44 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.43 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30286815 | 1.00 | CES1 (0.52) | CES1TTRBCHETGM2ALDH1A1 | |
| SCHEMBL4439639 | 0.82 | CES1 (0.46) | CES1TTRBCHETGM2ALDH1A1 | |
| SCHEMBL28596589 | 0.81 | CES1 (0.40) | CES1TTRBCHETGM2ALDH1A1 | |
| SCHEMBL14516316 | 0.80 | CES1 (0.57) | CES1TTRBCHETGM2ALDH1A1 | |
| SCHEMBL30951959 | 0.77 | CES1 (0.50) | CES1TTRBCHETGM2ALDH1A1 | |
| SCHEMBL29258531 | 0.77 | TRPA1 (0.40) | CES1TTRALDH1A1 | |
| SCHEMBL2707925 | 0.76 | POLB (0.43) | CES1BCHECES2GAANPSR1 | |
| SCHEMBL17818354 | 0.72 | CES1 (0.57) | CES1TTRBCHETGM2ALDH1A1 | |
| SCHEMBL31492057 | 0.72 | CES1 (0.57) | CES1TTRBCHETGM2ALDH1A1 | |
| SCHEMBL7233659 | 0.72 | CES1 (0.65) | CES1BCHETGM2ALDH1A1CES2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118125961-A | 1- (4-Trifluoromethyl-benzyl) -isatin derivative and preparation method and application thereof | 武汉大学人民医院（湖北省人民医院） | 2024-06-04 | — | — | CN | disclosed |
| EP-2134692-A2 | QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION | Wyeth a Corporation of the State of Delaware (US) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008121817-A2 | QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION | WYETH (US) | 2008-10-09 | — | — | WO | disclosed |
| EP-1682511-A2 | METHODS AND COMPOSITIONS FOR SELECTIN INHIBITION | Wyeth (US) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005047257-A2 | METHODS AND COMPOSITIONS FOR SELECTIN INHIBITION | WYETH (US) | 2005-05-26 | — | — | WO | disclosed |
| EP-1363624-A2 | FLUORO OXINDOLE DERIVATIVES AS MODULATORS OF KCNQ POTASSIUM CHANNELS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002066426-A2 | FLUORO OXINDOLE DERIVATIVES AS MODULATORS OF KCNQ POTASSIUM CHANNELS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-08-29 | — | — | WO | disclosed |
| CN-1076348-C | 3-ketoindole derivates taken as potassium channels regulator | BRISTOL MYERS SQUIBB CO LTD (US) | 2001-12-19 | — | — | CN | disclosed |
| CN-1144800-A | 3-ketoindole derivates taken as potassium channels regulator | BRISTOL MYERS SQUIBB CO (US) | 1997-03-12 | — | — | CN | disclosed |