Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.43 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19953510 | 0.85 | HRH3 (0.46) | TSHRALDH1A1GAACYP3A4CYP2C19 | |
| SCHEMBL19953664 | 0.85 | HRH3 (0.46) | TSHRALDH1A1GAACYP3A4CYP2C19 | |
| SCHEMBL19953670 | 0.83 | ACE (0.42) | TSHRALDH1A1GAACYP2C9GRM7 | |
| SCHEMBL19953505 | 0.83 | HRH3 (0.43) | TSHRALDH1A1GAACYP3A4CYP2C9 | |
| SCHEMBL19960674 | 0.82 | PARP1 (0.41) | TSHRALDH1A1GAACYP2C9GRM7 | |
| SCHEMBL19953636 | 0.81 | FABP5 (0.44) | TSHRGAAFABP5GRM7MAPT | |
| SCHEMBL19953654 | 0.81 | GRM7 (0.62) | TSHRALDH1A1GAAFABP5GRM7 | |
| SCHEMBL19953513 | 0.81 | GRM7 (0.62) | TSHRALDH1A1GAAFABP5GRM7 | |
| SCHEMBL19960805 | 0.80 | GRM7 (0.39) | TSHRALDH1A1GAACYP2C9GRM7 | |
| SCHEMBL19960675 | 0.78 | PARP1 (0.38) | TSHRALDH1A1GAACYP2C9GRM7 |
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-2018047983-A1 | INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-03-15 | — | — | WO | disclosed |
| WO-2018047983-A1 | INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-03-15 | — | — | WO | disclosed |