Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.42 |
| ▸ | KIT | P10721 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | SMO | Q99835 | 4/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | AKT2 | P31751 | 1/20 | 0.36 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7157196 | 0.94 | RPS6KB1 (0.43) | RPS6KB1KITSMOAKT1AKT2 | |
| SCHEMBL7159916 | 0.91 | PIK3CA (0.39) | KITTP53POLBMAPTAKT1 | |
| SCHEMBL7160558 | 0.82 | PIK3CA (0.42) | RPS6KB1KITTP53CYP1A2CYP2C19 | |
| SCHEMBL7160406 | 0.82 | RPS6KB1 (0.43) | RPS6KB1POLBGAAAKT1MEN1 | |
| SCHEMBL7159326 | 0.79 | MAPK1 (0.39) | RPS6KB1MAPTSMOAKT1AKT2 | |
| SCHEMBL7156878 | 0.79 | PDE10A (0.36) | RPS6KB1AKT1AKT2AKT3CYP1A2 | |
| SCHEMBL7159692 | 0.79 | KIT (0.40) | KITTP53POLBMAPTACHE | |
| SCHEMBL7163515 | 0.79 | RPS6KB1 (0.44) | RPS6KB1POLBMAPTSMOCYP2C19 | |
| SCHEMBL5206883 | 0.77 | DHFR (0.43) | RPS6KB1SMO | |
| SCHEMBL7159379 | 0.75 | PIK3CA (0.36) | RPS6KB1AKT1AKT2CYP1A2CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2002541245-A | — | — | 2002-12-03 | — | — | JP | claimed |
| EP-1165523-A1 | NEUROTROPHIC SUBSTITUTED PYRIMIDINES | Krenitsky Pharmaceuticals, Inc. (US) | 2002-01-02 | — | — | EP | claimed |
| WO-2000061562-A1 | NEUROTROPHIC SUBSTITUTED PYRIMIDINES | KRENITSKY PHARMACEUTICALS INC. (US) | 2000-10-19 | — | — | WO | claimed |