Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL196663 | 0.87 | ALDH1A1 (0.56) | TSHRALDH1A1TDP1HSD17B10SMN1; SMN2 | |
| SCHEMBL57836 | 0.84 | TSHR (0.40) | TSHRALDH1A1TDP1HSD17B10CYP3A4 | |
| SCHEMBL456292 | 0.81 | TSHR (0.50) | TSHRALDH1A1TDP1HSD17B10SMN1; SMN2 | |
| SCHEMBL221622 | 0.78 | TDP1 (0.56) | TSHRALDH1A1TDP1HSD17B10SMN1; SMN2 | |
| SCHEMBL28006835 | 0.78 | HSD17B10 (0.41) | TSHRALDH1A1TDP1HSD17B10SMN1; SMN2 | |
| SCHEMBL27631150 | 0.78 | CYP1A2 (0.48) | TSHRALDH1A1TDP1HSD17B10SMN1; SMN2 | |
| SCHEMBL27788576 | 0.73 | ALDH1A1 (0.38) | TSHRALDH1A1TDP1 | |
| SCHEMBL58127 | 0.72 | HSD17B10 (0.54) | TSHRALDH1A1TDP1HSD17B10SMN1; SMN2 | |
| SCHEMBL458354 | 0.71 | HSD17B10 (0.52) | TSHRALDH1A1TDP1HSD17B10SMN1; SMN2 | |
| SCHEMBL27859853 | 0.69 | TDP1 (0.42) | TSHRALDH1A1TDP1HSD17B10SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100558428-C | Calcitonin gene related peptide receptor antagonists | BRISTOL MYERS SQUIBB CO (US) | 2009-11-11 | — | — | CN | disclosed |
| CN-1917921-A | Calcitonin gene related peptide receptor antagonists | BRISTOL MYERS SQUIBB CO (US) | 2007-02-21 | — | — | CN | disclosed |