Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | FAAH | O00519 | 3/20 | 0.37 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | PHF8 | Q9UPP1 | 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 | |
|---|---|---|---|---|
| SCHEMBL18701402 | 0.95 | TSHR (0.65) | TSHRALDH1A1DNM1KDM5APHF8 | |
| SCHEMBL23679028 | 0.95 | TSHR (0.73) | TSHRALDH1A1FAAHDNM1TRPV1 | |
| SCHEMBL17398951 | 0.95 | TSHR (0.65) | TSHRALDH1A1DNM1KDM5APHF8 | |
| SCHEMBL22157441 | 0.93 | TSHR (0.62) | TSHRALDH1A1FAAHDNM1THRB | |
| SCHEMBL15951725 | 0.93 | TSHR (0.61) | TSHRALDH1A1DNM1KDM5APHF8 | |
| SCHEMBL18780475 | 0.91 | TSHR (0.60) | TSHRALDH1A1DNM1KDM5APHF8 | |
| SCHEMBL22157379 | 0.91 | TSHR (0.65) | TSHRALDH1A1FAAHDNM1THRB | |
| SCHEMBL22157435 | 0.91 | TSHR (0.58) | TSHRALDH1A1FAAHDNM1KDM5A | |
| SCHEMBL22157388 | 0.91 | TSHR (0.65) | TSHRALDH1A1FAAHDNM1THRB | |
| SCHEMBL22157439 | 0.91 | TSHR (0.62) | TSHRALDH1A1FAAHKDM5APHF8 |
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-1137651-A1 | 1-HYDROXY-3-SULFONOALKANE-1,1-DIPHOSPHONOUS ACIDS | Bayer Aktiengesellschaft (DE) | 2001-10-04 | — | — | EP | disclosed |
| WO-2000035926-A1 | 1-HYDROXY-3-SULFONOALKANE-1,1-DIPHOSPHONOUS ACIDS | BAYER AKTIENGESELLSCHAFT (DE) | 2000-06-22 | — | — | WO | disclosed |