Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ALDH1A2 | O94788 | 3/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.49 |
| ▸ | ULK1 | O75385 | 2/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL25547935 | 0.88 | MAP4K1 (0.45) | MAP4K1ALDH1A2ROCK2ULK1KMT2A | |
| SCHEMBL30444662 | 0.82 | CYP3A4 (0.63) | ALOX15TSHRCASP1NPSR1HSD17B10 | |
| SCHEMBL22284858 | 0.82 | CYP3A4 (0.63) | ALOX15TSHRCASP1NPSR1HSD17B10 | |
| SCHEMBL25547933 | 0.81 | MAP4K1 (0.47) | MAP4K1ALDH1A2ROCK2ULK1KIF11 | |
| SCHEMBL9378760 | 0.80 | MAP4K1 (0.60) | MAP4K1HSD17B10ALDH1A2ROCK2KIF11 | |
| SCHEMBL10365448 | 0.80 | MAP4K1 (0.65) | MAP4K1ALDH1A2ROCK2KIF11CRBN | |
| SCHEMBL31680533 | 0.79 | NPC1 (0.56) | MAP4K1ALDH1A2ROCK2KMT2AKIF11 | |
| SCHEMBL31139953 | 0.77 | MAP4K1 (0.50) | MAP4K1ALDH1A2ROCK2ULK1KIF11 | |
| SCHEMBL26441313 | 0.77 | MAP4K1 (0.53) | MAP4K1ALDH1A2ROCK2KIF11CRBN | |
| SCHEMBL25547937 | 0.76 | MAP4K1 (0.43) | MAP4K1ALDH1A2ROCK2ULK1CRBN |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017070719-A2 | PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 | MANGOSUTHU UNIVERSITY OF TECHNOLOGY (ZA) | 2017-04-27 | — | — | WO | disclosed |
| WO-2017070718-A1 | PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 | MANGOSUTHU UNIVERSITY OF TECHNOLOGY (ZA) | 2017-04-27 | — | — | WO | disclosed |