Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.37 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.37 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 5/20 | 0.37 |
| ▸ | PKLR | P30613 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17611691 | 0.83 | P2RY14 (0.57) | CYP1A2CYP2C19P2RY14ALDH1A1KMT2A | |
| SCHEMBL175092 | 0.82 | TP53 (0.47) | CYP1A2CYP2C19P2RY14ALDH1A1KMT2A | |
| SCHEMBL30223258 | 0.82 | TP53 (0.47) | CYP1A2CYP2C19P2RY14ALDH1A1KMT2A | |
| SCHEMBL14998053 | 0.81 | ALDH1A1 (0.55) | CYP1A2CYP2C19P2RY14ALDH1A1KMT2A | |
| SCHEMBL18496413 | 0.79 | TP53 (0.45) | CYP1A2CYP2C19P2RY14ALDH1A1KMT2A | |
| SCHEMBL20433971 | 0.79 | ALDH1A1 (0.43) | CYP1A2CYP2C19P2RY14ALDH1A1KMT2A | |
| SCHEMBL18672320 | 0.79 | P2RY14 (0.45) | CYP1A2CYP2C19P2RY14ALDH1A1KMT2A | |
| SCHEMBL18405007 | 0.75 | CYP1A2 (0.40) | CYP1A2CYP2C19P2RY14ALDH1A1KMT2A | |
| SCHEMBL6068367 | 0.73 | TP53 (0.43) | CYP1A2P2RY14ALDH1A1KMT2AMEN1 | |
| SCHEMBL5766056 | 0.73 | KMT2A (0.46) | CYP1A2CYP2C19P2RY14ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012028645-A1 | METHOD FOR THE PRODUCTION OF 5-FLUORO-1H-PYRAZOLO[3,4-B]PYRIDINE-3-CARBONITRILE | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-03-08 | — | — | WO | disclosed |