Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SETD1B | Q9UPS6 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15464255 | 0.83 | ALDH1A1 (0.50) | ALDH1A1LMNAHPGDTSHRMCL1 | |
| SCHEMBL28027411 | 0.80 | ALDH1A1 (0.54) | ALDH1A1LMNAHPGDTSHRMAPT | |
| SCHEMBL15471447 | 0.80 | ALDH1A1 (0.41) | ALDH1A1LMNAHPGDTSHRMCL1 | |
| SCHEMBL11504186 | 0.79 | MCL1 (0.58) | ALDH1A1LMNAHPGDTSHRMCL1 | |
| SCHEMBL78064 | 0.78 | ALDH1A1 (0.47) | ALDH1A1LMNAHPGDTSHRMCL1 | |
| SCHEMBL11504215 | 0.78 | ALDH1A1 (0.49) | ALDH1A1LMNAHPGDTSHRMCL1 | |
| SCHEMBL15464945 | 0.78 | ALDH1A1 (0.39) | ALDH1A1LMNAHPGDTSHRMCL1 | |
| SCHEMBL15473939 | 0.78 | ALDH1A1 (0.39) | ALDH1A1LMNAHPGDTSHRMCL1 | |
| SCHEMBL15464936 | 0.77 | MCL1 (0.51) | ALDH1A1LMNAHPGDTSHRMCL1 | |
| SCHEMBL16523502 | 0.76 | ALDH1A1 (0.45) | ALDH1A1LMNAHPGDTSHRMCL1 |
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-2880028-B1 | ANTIDIABETIC TRICYCLIC COMPOUNDS | MERCK SHARP & DOHME (US) | 2020-09-30 | — | — | EP | disclosed |
| WO-2014022528-A1 | ANTIDIABETIC TRICYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2014-02-06 | — | — | WO | disclosed |