Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL3496017 | 0.90 | TP53 (0.44) | TP53LMNAALDH1A1HTTMAPT | |
| SCHEMBL3494783 | 0.87 | LMNA (0.41) | TP53LMNAALDH1A1HTTMAPT | |
| SCHEMBL4982433 | 0.83 | CPT2 (0.37) | TP53LMNAALDH1A1HTTMAPT | |
| SCHEMBL3494574 | 0.81 | PARP10 (0.37) | TP53LMNAHTTMAPTSMN1; SMN2 | |
| SCHEMBL3494786 | 0.81 | TP53 (0.43) | TP53LMNAALDH1A1HTTMAPT | |
| SCHEMBL3493772 | 0.81 | USP30 (0.38) | TP53LMNAHTTKDM4EPKM | |
| SCHEMBL3493553 | 0.80 | KAT7 (0.38) | — | |
| SCHEMBL13340346 | 0.79 | CHEK2 (0.41) | — | |
| SCHEMBL8230196 | 0.79 | CNR2 (0.38) | TP53LMNAALDH1A1HTTMAPT | |
| SCHEMBL4985477 | 0.78 | CNR1 (0.35) | TP53LMNAPPARG |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007094513-A2 | CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-08-23 | — | — | WO | disclosed |