Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.45 |
| ▸ | ULK1 | O75385 | 2/20 | 0.44 |
| ▸ | ALDH1A2 | O94788 | 3/20 | 0.43 |
| ▸ | KIF11 | P52732 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.39 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18789762 | 0.81 | MAP4K1 (0.51) | MAP4K1ROCK2ULK1ALDH1A2KIF11 | |
| SCHEMBL25547937 | 0.77 | MAP4K1 (0.43) | MAP4K1ROCK2ULK1ALDH1A2HDAC3 | |
| SCHEMBL26441329 | 0.74 | MAP4K1 (0.51) | MAP4K1ROCK2ALDH1A2KIF11HDAC3 | |
| SCHEMBL9378760 | 0.74 | MAP4K1 (0.60) | MAP4K1ROCK2ALDH1A2KIF11HDAC3 | |
| SCHEMBL10365448 | 0.74 | MAP4K1 (0.65) | MAP4K1ROCK2ALDH1A2KIF11HDAC3 | |
| SCHEMBL25547935 | 0.72 | MAP4K1 (0.45) | MAP4K1ROCK2ULK1ALDH1A2KIF11 | |
| SCHEMBL31139953 | 0.71 | MAP4K1 (0.50) | MAP4K1ROCK2ULK1ALDH1A2KIF11 | |
| SCHEMBL31680533 | 0.71 | NPC1 (0.56) | MAP4K1ROCK2ALDH1A2KIF11HDAC3 | |
| SCHEMBL26441313 | 0.71 | MAP4K1 (0.53) | MAP4K1ROCK2ALDH1A2KIF11HDAC3 | |
| SCHEMBL26441302 | 0.70 | MAP4K1 (0.53) | MAP4K1ULK1ALDH1A2KIF11HDAC3 |
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-3365330-B1 | PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 | MANGOSUTHU UNIV OF TECHNOLOGY (ZA) | 2023-06-07 | — | — | EP | disclosed |
| EP-3365819-B1 | PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 | MANGOSUTHU UNIV OF TECHNOLOGY (ZA) | 2023-06-07 | — | — | EP | disclosed |