Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.41 |
| ▸ | PI4KA | P42356 | 1/20 | 0.41 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.41 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.41 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5353171 | 0.87 | ADORA2A (0.43) | SMN1; SMN2ALDH1A1TSHRHTTKDM4E | |
| SCHEMBL16040506 | 0.81 | ALDH1A1 (0.45) | ALDH1A1TSHRHTTAVPR1AMEN1 | |
| SCHEMBL461803 | 0.79 | HTT (0.49) | SMN1; SMN2ALDH1A1TSHRHTTKDM4E | |
| SCHEMBL4879878 | 0.79 | AVPR1A (0.49) | SMN1; SMN2ALDH1A1HTTKDM4EAVPR1A | |
| SCHEMBL11978680 | 0.78 | MEN1 (0.50) | SMN1; SMN2ALDH1A1TSHRHTTKDM4E | |
| SCHEMBL2225245 | 0.77 | HPGDS (0.50) | ALDH1A1KDM4EKMT2ACYP1A2MAPT | |
| SCHEMBL4879887 | 0.75 | COMT (0.49) | SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL7062228 | 0.74 | AVPR1A (0.50) | SMN1; SMN2ALDH1A1TSHRKDM4EAVPR1A | |
| SCHEMBL9960592 | 0.73 | RECQL (0.34) | SMN1; SMN2ALDH1A1TSHRKDM4EGAA | |
| SCHEMBL3441565 | 0.73 | ALDH1A1 (0.42) | ALDH1A1TSHRHTTKDM4EMEN1 |
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-1984355-A2 | CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION | Takeda Pharmaceutical Company Limited (JP) | 2008-10-29 | — | — | EP | disclosed |
| 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 |