Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CES1 | P23141 | 3/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6055330 | 0.82 | ALDH1A1 (0.41) | CES2ALDH1A1FAAHTSHRCES1 | |
| SCHEMBL476046 | 0.74 | ALDH1A1 (0.43) | CES2ALDH1A1FAAHTSHRCES1 | |
| SCHEMBL5838985 | 0.73 | TSHR (0.48) | CES2ALDH1A1FAAHTSHRCES1 | |
| SCHEMBL1567062 | 0.72 | TSHR (0.32) | TSHR | |
| SCHEMBL8515814 | 0.72 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL8515815 | 0.72 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL9368819 | 0.71 | — | — | |
| SCHEMBL28667183 | 0.71 | CES2 (0.35) | CES2ALDH1A1CES1EPHX1ACHE | |
| SCHEMBL19465090 | 0.71 | CES1 (0.33) | CES2ALDH1A1CES1 | |
| SCHEMBL5695221 | 0.71 | AKR1B1 (0.48) | ALDH1A1TSHRTDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2102201-A2 | SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS | Merck & Co., Inc. (US) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008073311-A2 | SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS | MERCK & CO., INC. (US) | 2008-06-19 | — | — | WO | disclosed |