Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | NOS3 | P29474 | 2/20 | 0.54 |
| ▸ | NOS1 | P29475 | 2/20 | 0.54 |
| ▸ | NOS2 | P35228 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | ANPEP | P15144 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5772094 | 1.00 | ATM (0.57) | ATMALDH1A1THRBCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL16060730 | 0.98 | ATM (0.56) | ATMALDH1A1THRBCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL16060732 | 0.98 | ATM (0.56) | ATMALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL2622202 | 0.87 | ATM (0.60) | ATMALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL71782 | 0.83 | ACE (0.56) | ALDH1A1L3MBTL1 | |
| SCHEMBL933401 | 0.83 | ACE (0.56) | ALDH1A1L3MBTL1 | |
| SCHEMBL71781 | 0.83 | ACE (0.56) | ALDH1A1L3MBTL1 | |
| SCHEMBL20239092 | 0.82 | ATM (0.61) | ATMALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL20239093 | 0.82 | ATM (0.61) | ATMALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL13900785 | 0.82 | ATM (0.62) | ATMALDH1A1THRBCYP2C9CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108047304-A | - 7 selective depressant of metalloproteinases and its preparation method and application | 延边大学 | 2018-05-18 | — | — | CN | disclosed |
| EP-1490335-A4 | BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2006-02-08 | — | — | EP | disclosed |
| EP-1490335-A2 | BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | Merck & Co., Inc. (US) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003082817-A2 | BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2003-10-09 | — | — | WO | disclosed |