Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | DDO | Q99489 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | KLK1 | P06870 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9318665 | 0.86 | MEN1 (0.52) | HCAR2CYP11B1CYP11B2ALDH1A1KDM4E | |
| SCHEMBL7817677 | 0.86 | HCAR2 (0.59) | HCAR2CYP11B1CYP11B2ALDH1A1KDM4E | |
| SCHEMBL30777432 | 0.86 | HCAR2 (0.59) | HCAR2CYP11B1CYP11B2ALDH1A1KDM4E | |
| SCHEMBL7937454 | 0.80 | SAE1 (0.47) | CYP11B1CYP11B2ALDH1A1KDM4EMEN1 | |
| SCHEMBL3317267 | 0.80 | MKNK1 (0.64) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL16881310 | 0.79 | KMT2A (0.60) | HCAR2CYP11B1CYP11B2ALDH1A1KDM4E | |
| SCHEMBL16880864 | 0.79 | CYP2C9 (0.56) | ALDH1A1POLBCYP2C9CYP2C19HTT | |
| SCHEMBL16881474 | 0.79 | RECQL (0.49) | CYP11B1CYP11B2ALDH1A1KDM4EMEN1 | |
| SCHEMBL16880732 | 0.78 | CYP17A1 (0.40) | CYP11B1CYP11B2POLBCYP2C9CYP2C19 | |
| SCHEMBL16891355 | 0.78 | HSD17B3 (0.42) | CYP11B1CYP11B2HTT |
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-3089746-A1 | THERAPEUTIC INHIBITORY COMPOUNDS | Lifesci Pharmaceuticals, Inc. (BB) | 2016-11-09 | — | — | EP | disclosed |
| WO-2015103317-A1 | THERAPEUTIC INHIBITORY COMPOUNDS | LIFESCI PHARMACEUTICALS, INC. (BB) | 2015-07-09 | — | — | WO | disclosed |