Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | ALPG | P10696 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1585444 | 0.77 | HSD17B13 (0.42) | HSD17B13GAAPKMHPGD | |
| SCHEMBL3314021 | 0.73 | MEN1 (0.45) | HTTSMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL30128842 | 0.71 | HSD17B13 (0.49) | HSD17B13HTTHPGDPSMB2TRPA1 | |
| SCHEMBL11922246 | 0.70 | BRAF (0.40) | RXFP1 | |
| SCHEMBL14771217 | 0.70 | MAPT (0.52) | HTTSMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL30128609 | 0.68 | GRK2 (0.49) | ALPLALPGKDM4EMMP13 | |
| SCHEMBL6277525 | 0.66 | MCHR1 (0.53) | MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL3253993 | 0.65 | HDAC6 (0.49) | — | |
| SCHEMBL13604053 | 0.65 | MEN1 (0.39) | HTTSMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL9044408 | 0.64 | KDM5A (0.43) | HTTMEN1KMT2AALPLALPG |
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-2485731-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | Millennium Pharmaceuticals, Inc. (US) | 2012-08-15 | — | — | EP | disclosed |
| WO-2011044157-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | BIOGEN IDEC MA INC. (US) | 2011-04-14 | — | — | WO | disclosed |