Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL23199589 | 1.00 | TSHR (0.38) | TSHRNFKB1CYP2C19PKMTDP1 | |
| SCHEMBL16533608 | 0.95 | PKM (0.36) | TSHRNFKB1CYP2C19PKMTDP1 | |
| SCHEMBL8165588 | 0.77 | TSHR (0.39) | TSHRNFKB1CYP2C19FFAR3 | |
| SCHEMBL3315131 | 0.77 | FFAR3 (0.43) | TSHRNFKB1CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL14396686 | 0.77 | FFAR3 (0.43) | TSHRNFKB1CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL8164553 | 0.77 | TSHR (0.39) | TSHRNFKB1CYP2C19FFAR3 | |
| SCHEMBL8164550 | 0.77 | TSHR (0.39) | TSHRNFKB1CYP2C19FFAR3 | |
| SCHEMBL14362836 | 0.77 | FFAR3 (0.43) | TSHRNFKB1CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL28770199 | 0.74 | TSHR (0.35) | TSHRNFKB1CYP2C19FFAR3 | |
| SCHEMBL27428658 | 0.73 | PKM (0.34) | TSHRNFKB1CYP2C19PKMTDP1 |
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-2685981-B1 | PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES | BRISTOL MYERS SQUIBB CO (US) | 2016-08-24 | — | — | EP | disclosed |
| WO-2012125886-A1 | PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-09-20 | — | — | WO | disclosed |