Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 11/20 | 0.51 |
| ▸ | CHRNA3 | P32297 | 11/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL16098695 | 0.87 | CHRNB4 (0.66) | CHRNB4CHRNA3CHRNA7ALDH1A1MAPT | |
| SCHEMBL19253727 | 0.85 | CHRNB4 (0.63) | CHRNB4CHRNA3CHRNA7ALDH1A1MAPT | |
| SCHEMBL2045328 | 0.81 | CHRNB4 (0.57) | CHRNB4CHRNA3CHRNA7ALDH1A1MAPT | |
| SCHEMBL5518603 | 0.73 | CA2 (0.67) | CA12CA2CA9ALDH1A1LMNA | |
| SCHEMBL5527319 | 0.73 | CA2 (0.67) | CA12CA2CA9ALDH1A1LMNA | |
| SCHEMBL9356008 | 0.73 | CA2 (0.67) | CA12CA2CA9ALDH1A1LMNA | |
| SCHEMBL2122562 | 0.71 | CA2 (0.62) | CA12CA2CA9ALDH1A1MAPT | |
| SCHEMBL250285 | 0.71 | CA2 (0.62) | CA12CA2CA9ALDH1A1MAPT | |
| SCHEMBL18187419 | 0.71 | CA2 (0.62) | CA12CA2CA9ALDH1A1MAPT | |
| SCHEMBL8978700 | 0.71 | CA2 (0.62) | CA12CA2CA9ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2976339-B1 | GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-06-27 | — | — | EP | disclosed |