Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6561734 | 0.70 | ALDH1A1 (0.35) | ALDH1A1HPGDMEN1KMT2AMAPT | |
| SCHEMBL11080855 | 0.63 | DAO (0.39) | HPGDMEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL3033601 | 0.61 | NR4A2 (0.40) | ALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL14511433 | 0.60 | ALDH1A1 (0.35) | ALDH1A1HPGDMEN1KMT2AMAPT | |
| SCHEMBL827254 | 0.59 | GSK3B (0.52) | ALDH1A1HPGDMEN1KMT2AMAPT | |
| SCHEMBL1526022 | 0.59 | KMT2A (0.64) | ALDH1A1MEN1KMT2A | |
| SCHEMBL16224953 | 0.59 | EED (0.45) | ALDH1A1HPGDMEN1KMT2AMAPT | |
| SCHEMBL3697021 | 0.59 | CASP1 (0.45) | ALDH1A1KMT2A | |
| SCHEMBL3791684 | 0.58 | SMN1; SMN2 (0.52) | ALDH1A1HPGDMEN1KMT2AMAPT | |
| SCHEMBL3319697 | 0.57 | HDAC3 (0.57) | ALDH1A1HPGDMEN1KMT2AMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0882029-B1 | HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS | MERCK & CO INC (US) | 2003-04-02 | — | — | EP | disclosed |
| US-6090836-A | DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION | MERCK & CO., INC. (US) | 2000-07-18 | — | — | US | disclosed |
| EP-0882029-A1 | HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS | Merck & Co., Inc. (US) | 1998-12-09 | — | — | EP | disclosed |
| WO-1997028137-A1 | HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS | MERCK & CO., INC. (US) | 1997-08-07 | — | — | WO | disclosed |