Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | TOP2A | P11388 | 3/20 | 0.43 |
| ▸ | TOP2B | Q02880 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24716099 | 0.82 | CYP4F2 (0.48) | MAOAMAOBTOP2ATOP2BNPC1 | |
| SCHEMBL20680977 | 0.81 | ENPP2 (0.41) | TOP2ATOP2BNPC1RAB9AMEN1 | |
| SCHEMBL13034150 | 0.81 | MAOB (0.58) | MAOAMAOBTP53ALDH1A1THRB | |
| SCHEMBL26428985 | 0.80 | RAB9A (0.44) | NPC1RAB9AALDH1A1 | |
| SCHEMBL26428983 | 0.80 | ADRB2 (0.50) | TOP2ATOP2BNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11205908 | 0.79 | MGLL (0.47) | TOP2ATOP2BNPC1RAB9AMEN1 | |
| SCHEMBL28266629 | 0.78 | TOP2A (0.44) | TOP2ATOP2BNPC1RAB9AALDH1A1 | |
| SCHEMBL19949252 | 0.77 | MMP1 (0.48) | TOP2ATOP2BRAB9AMEN1KMT2A | |
| SCHEMBL13632263 | 0.77 | GAA (0.55) | MAOAMAOBTOP2ATOP2BRAB9A | |
| SCHEMBL28578149 | 0.77 | MAOA (0.50) | MAOAMAOBTP53ALDH1A1THRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-102665718-B | Heterocyclic compounds useful as PDK1 inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2016-03-09 | — | — | CN | disclosed |