Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTH | P32929 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 6/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3677969 | 0.88 | NPC1 (0.38) | CTHMEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL6914165 | 0.88 | NPC1 (0.38) | CTHMEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL24618676 | 0.82 | CTH (0.51) | CTHMEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL26141585 | 0.82 | CTH (0.51) | CTHMEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL19231094 | 0.79 | CTH (0.48) | CTHMEN1KMT2ANPC1RAB9A | |
| SCHEMBL6911986 | 0.78 | MAPT (0.33) | CTHMEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL6911990 | 0.78 | MAPT (0.33) | CTHMEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL1227091 | 0.76 | CTH (0.54) | CTHMEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL77564 | 0.76 | CTH (0.54) | CTHMEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL9768814 | 0.76 | CTH (0.50) | CTHMEN1KMT2AALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3318560-A1 | NOVEL LIGAND COMPOUND AND TRANSITION METAL COMPOUND | LG Chem, Ltd. (KR) | 2018-05-09 | — | — | EP | disclosed |