Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.38 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL29956994 | 0.89 | CYP17A1 (0.50) | BRAFCYP17A1MIFRXFP1NPC1 | |
| SCHEMBL6336273 | 0.89 | CYP17A1 (0.50) | BRAFCYP17A1MIFRXFP1NPC1 | |
| SCHEMBL6478595 | 0.87 | HPGD (0.44) | CYP17A1MIFRXFP1NPC1RAB9A | |
| SCHEMBL11999997 | 0.84 | CA12 (0.43) | MIFRXFP1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29954082 | 0.84 | ALDH1A1 (0.44) | CYP17A1MIFRXFP1NPC1RAB9A | |
| SCHEMBL28773311 | 0.84 | EGFR (0.44) | BRAFCYP17A1RXFP1RAB9AHDAC3 | |
| SCHEMBL29956714 | 0.83 | PDK1 (0.44) | MIFNPC1RAB9ASMN1; SMN2RECQL | |
| SCHEMBL15614546 | 0.82 | MAPT (0.51) | BRAFCYP17A1RXFP1SMN1; SMN2KCNQ4 | |
| SCHEMBL20748365 | 0.82 | KDM4E (0.52) | SMN1; SMN2KDM4EMAPTALDH1A1GAA | |
| SCHEMBL5164739 | 0.81 | SMN1; SMN2 (0.44) | CYP17A1MIFNPC1RAB9ASMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |