Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MPI | P34949 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL4272345 | 1.00 | TSHR (0.52) | TSHRTHRBALDH1A1MPICYP2D6 | |
| SCHEMBL4274458 | 1.00 | TSHR (0.52) | TSHRTHRBALDH1A1MPICYP2D6 | |
| SCHEMBL4272465 | 1.00 | TSHR (0.52) | TSHRTHRBALDH1A1MPICYP2D6 | |
| SCHEMBL4277422 | 0.95 | TSHR (0.50) | TSHRTHRBALDH1A1MPI | |
| SCHEMBL4274441 | 0.95 | TSHR (0.50) | TSHRTHRBALDH1A1MPI | |
| SCHEMBL4268327 | 0.95 | TSHR (0.50) | TSHRTHRBALDH1A1MPI | |
| SCHEMBL1163840 | 0.95 | TSHR (0.50) | TSHRTHRBALDH1A1MPI | |
| SCHEMBL4271272 | 0.95 | TSHR (0.50) | TSHRTHRBALDH1A1MPI | |
| SCHEMBL2722436 | 0.95 | TSHR (0.50) | TSHRTHRBALDH1A1MPI | |
| SCHEMBL1163588 | 0.95 | TSHR (0.50) | TSHRTHRBALDH1A1MPI |
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 |
|---|---|---|---|---|---|---|---|
| US-20090294362-A1 | STATIONARY PHASE FOR HYDROPHILIC INTERACTION CHROMATOGRAPHY | MERCK PATENT GMBH (DE) | 2009-12-03 | — | — | US | claimed |
| US-20090294362-A1 | STATIONARY PHASE FOR HYDROPHILIC INTERACTION CHROMATOGRAPHY | MERCK PATENT GMBH (DE) | 2009-12-03 | — | — | US | disclosed |