Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16587739 | 0.84 | TSHR (0.38) | TSHRCYP2D6SMN1; SMN2 | |
| SCHEMBL16472340 | 0.84 | TSHR (0.38) | TSHRCYP2D6SMN1; SMN2 | |
| SCHEMBL16478643 | 0.75 | TP53 (0.32) | — | |
| SCHEMBL16472260 | 0.75 | TSHR (0.33) | TSHRCYP2D6SMN1; SMN2 | |
| SCHEMBL16472417 | 0.75 | TP53 (0.32) | — | |
| SCHEMBL24634255 | 0.75 | TSHR (0.33) | TSHRCYP2D6SMN1; SMN2 | |
| SCHEMBL16478635 | 0.73 | TP53 (0.31) | — | |
| SCHEMBL16472323 | 0.70 | — | — | |
| SCHEMBL19447726 | 0.70 | — | — | |
| SCHEMBL16478732 | 0.69 | TP53 (0.42) | TSHRSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8987268-B2 | Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-03-24 | — | — | US | disclosed |