Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.58 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.58 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | CTSS | P25774 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | CTSB | P07858 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 1/20 | 0.48 |
| ▸ | MDM4 | O15151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6440329 | 1.00 | ITGA4 (0.58) | ITGA4ITGB7KLK5MEN1KMT2A | |
| SCHEMBL4022466 | 1.00 | ITGA4 (0.58) | ITGA4ITGB7KLK5MEN1KMT2A | |
| SCHEMBL6428127 | 0.93 | ITGA4 (0.62) | ITGA4ITGB7KLK5ATMMAPT | |
| SCHEMBL7438704 | 0.90 | YAP1 (0.57) | ITGA4ITGB7MEN1KMT2AALDH1A1 | |
| SCHEMBL7438699 | 0.90 | YAP1 (0.57) | ITGA4ITGB7MEN1KMT2AALDH1A1 | |
| SCHEMBL6600210 | 0.90 | ITGA4 (0.53) | ITGA4ITGB7KLK5MEN1KMT2A | |
| SCHEMBL7439390 | 0.90 | ITGA4 (0.53) | ITGA4ITGB7KLK5MEN1KMT2A | |
| SCHEMBL7439396 | 0.90 | ITGA4 (0.53) | ITGA4ITGB7KLK5MEN1KMT2A | |
| SCHEMBL2476918 | 0.89 | ACE (0.54) | ITGA4ITGB7ATMMAPTTDP1 | |
| SCHEMBL3026223 | 0.89 | ACE (0.54) | ITGA4ITGB7ATMMAPTTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1689713-A4 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE | MERCK & CO INC (US) | 2009-02-18 | — | — | EP | disclosed |
| EP-1689713-A1 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE | Merck & Co., Inc. (US) | 2006-08-16 | — | — | EP | disclosed |
| WO-2005051914-A1 | BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2005-06-09 | — | — | WO | disclosed |