Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | F12 | P00748 | 4/20 | 0.33 |
| ▸ | HIPK2 | Q9H2X6 | 2/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9937599 | 0.85 | KMT2A (0.53) | KMT2AMEN1NPC1CASP3SENP8 | |
| SCHEMBL9937518 | 0.80 | KMT2A (0.38) | KMT2AMEN1NPC1CASP3SENP8 | |
| SCHEMBL23199773 | 0.78 | HSD17B10 (0.44) | KMT2AMEN1NPC1CASP3SENP8 | |
| SCHEMBL668901 | 0.78 | CA12 (0.41) | KMT2AMEN1TDP1CYP3A4MAPT | |
| SCHEMBL996026 | 0.78 | CA12 (0.41) | KMT2AMEN1TDP1CYP3A4MAPT | |
| SCHEMBL9937557 | 0.77 | MAPT (0.41) | KMT2AMEN1NPC1CASP3SENP8 | |
| SCHEMBL669403 | 0.76 | KMT2A (0.55) | KMT2AMEN1TDP1MAPTKDM4E | |
| SCHEMBL9936930 | 0.75 | ACHE (0.41) | KMT2AMEN1NPC1TDP1CYP3A4 | |
| SCHEMBL9938274 | 0.75 | ELANE (0.38) | TDP1CYP1A2ROCK2ALDH1A1LMNA | |
| SCHEMBL9938547 | 0.75 | KDM4E (0.40) | KMT2ANPC1MAPTKDM4EALDH1A1 |
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-2651916-A2 | C-17-HETEROARYL STEROIDAL COMPOUNDS AS INHIBITORS OF CYP11B, CYP17, AND/OR CYP21 | BioMarin Pharmaceutical Inc. (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012083112-A2 | CYP11B, CYP17, AND/OR CYP21 INHIBITORS | BIOMARIN PHARMACEUTICAL INC. (US) | 2012-06-21 | — | — | WO | disclosed |