Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
| ▸ | LGALS8 | O00214 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL9392934 | 0.98 | ALDH1A1 (0.48) | ALDH1A1CES2CES1NAAAHDAC3 | |
| SCHEMBL8844702 | 0.98 | ALDH1A1 (0.48) | ALDH1A1CES2CES1NAAAHDAC3 | |
| SCHEMBL6130028 | 0.96 | ALDH1A1 (0.46) | ALDH1A1CES2CES1NAAAHDAC3 | |
| SCHEMBL7748995 | 0.96 | ALDH1A1 (0.46) | ALDH1A1CES2CES1NAAAHDAC3 | |
| SCHEMBL8844770 | 0.96 | ALDH1A1 (0.46) | ALDH1A1CES2CES1NAAAHDAC3 | |
| SCHEMBL5155121 | 0.96 | ALDH1A1 (0.46) | ALDH1A1CES2CES1NAAAHDAC3 | |
| SCHEMBL14094698 | 0.95 | ALDH1A1 (0.50) | ALDH1A1CES2CES1NAAAHDAC3 | |
| SCHEMBL10621219 | 0.93 | ALDH1A1 (0.48) | ALDH1A1CES2CES1NAAAHDAC3 | |
| SCHEMBL5925481 | 0.93 | ALDH1A1 (0.48) | ALDH1A1CES2CES1NAAAHDAC3 | |
| SCHEMBL5155070 | 0.93 | ALDH1A1 (0.48) | ALDH1A1CES2CES1NAAAHDAC3 |
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-1345950-A4 | INOSITOL DERIVATIVES FOR INCREASING CHLORIDE SECRETION AND INHIBITING INFLAMMATION | INOLOGIC INC (US) | 2005-04-27 | — | — | EP | claimed |
| EP-1345950-A2 | INOSITOL DERIVATIVES FOR INCREASING CHLORIDE SECRETION AND INHIBITING INFLAMMATION | Inologic, Inc. (US) | 2003-09-24 | — | — | EP | claimed |
| WO-2002041831-A2 | INOSITOL DERIVATIVES FOR INCREASING CHLORIDE SECRETION AND INHIBITING INFLAMMATION | INOLOGIC, INC. (US) | 2002-05-30 | — | — | WO | claimed |