Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 4/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16844578 | 0.83 | MAPT (0.47) | TDP1MEN1MAPTKMT2A | |
| SCHEMBL16844572 | 0.81 | CA12 (0.44) | TSHRALDH1A1CYP1A2CYP2C19GAA | |
| SCHEMBL16844574 | 0.79 | DRD2 (0.39) | TSHRALDH1A1CYP1A2CYP2C19DRD2 | |
| SCHEMBL16844573 | 0.78 | DRD2 (0.45) | DRD2DRD1 | |
| SCHEMBL15085356 | 0.77 | BRD4 (0.44) | ALDH1A1PPARGHTR2AGAAMEN1 | |
| SCHEMBL16844576 | 0.77 | CYP1A2 (0.37) | TSHRALDH1A1CYP1A2CYP2C19GAA | |
| SCHEMBL1477578 | 0.75 | TSHR (0.50) | TSHRCYP1A2CYP2C19MAPT | |
| SCHEMBL22209851 | 0.75 | TSHR (0.50) | TSHRCYP1A2CYP2C19MAPT | |
| SCHEMBL12749371 | 0.75 | TSHR (0.50) | TSHRCYP1A2CYP2C19MAPT | |
| SCHEMBL1477389 | 0.75 | TSHR (0.50) | TSHRCYP1A2CYP2C19MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015095261-A1 | NOVEL TRICYCLIC CALCIUM SENSING RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-06-25 | — | — | WO | disclosed |
| WO-2015089842-A1 | NOVEL TRICYCLIC CALCIUM SENSING RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OSTEOPOROSIS | MERCK SHARP & DOHME CORP. (US) | 2015-06-25 | — | — | WO | disclosed |