Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | DPP4 | P27487 | 3/20 | 0.52 |
| ▸ | FAP | Q12884 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | ARG1 | P05089 | 1/20 | 0.46 |
| ▸ | ARG2 | P78540 | 1/20 | 0.46 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.46 |
| ▸ | PREP | P48147 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.42 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4869279 | 1.00 | ROCK2 (0.55) | ROCK2CYP3A4KMT2ADPP4FAP | |
| SCHEMBL8312865 | 0.98 | ROCK2 (0.56) | ROCK2CYP3A4KMT2ADPP4FAP | |
| SCHEMBL4774911 | 0.98 | ROCK2 (0.56) | ROCK2CYP3A4KMT2ADPP4FAP | |
| SCHEMBL17782671 | 0.87 | ROCK2 (0.57) | ROCK2CYP3A4KMT2ADPP4FAP | |
| SCHEMBL25381761 | 0.85 | ROCK2 (0.53) | ROCK2CYP3A4KMT2ADPP4FAP | |
| SCHEMBL25318395 | 0.85 | ROCK2 (0.53) | ROCK2CYP3A4KMT2ADPP4FAP | |
| SCHEMBL31491459 | 0.85 | ROCK2 (0.53) | ROCK2CYP3A4KMT2ADPP4FAP | |
| SCHEMBL25377868 | 0.84 | ROCK2 (0.52) | ROCK2CYP3A4KMT2ADPP4FAP | |
| SCHEMBL25375448 | 0.84 | ROCK2 (0.52) | ROCK2CYP3A4KMT2ADPP4FAP | |
| Hydrochloric Acid SCHEMBL4785421 | 0.84 | ROCK2 (0.52) | ROCK2CYP3A4KMT2ADPP4FAP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7388019-B2 | 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK & CO., INC. (US) | 2008-06-17 | — | — | US | disclosed |
| US-7388019-B2 | 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK & CO., INC. (US) | 2008-06-17 | — | — | US | disclosed |
| WO-2004069162-A2 | 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2004-08-19 | — | — | WO | disclosed |