Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| SCHEMBL8616442 | 0.79 | TP53 (0.46) | TP53TSHRALDH1A1TAAR1SLC6A2 | |
| SCHEMBL8615436 | 0.78 | TP53 (0.43) | TP53TSHRALDH1A1AOC3CALM1 | |
| SCHEMBL14838179 | 0.76 | TP53 (0.48) | TP53TSHRALDH1A1CALM1NR1H2 | |
| SCHEMBL8616446 | 0.76 | TP53 (0.48) | TP53TSHRALDH1A1CALM1NR1H2 | |
| SCHEMBL8320761 | 0.74 | TP53 (0.41) | TP53TSHRALDH1A1AOC3TAAR1 | |
| SCHEMBL28291474 | 0.73 | TP53 (0.50) | TP53TSHRALDH1A1TAAR1SLC6A2 | |
| SCHEMBL988373 | 0.73 | TP53 (0.50) | TP53TSHRALDH1A1TAAR1SLC6A2 | |
| SCHEMBL8577993 | 0.73 | TP53 (0.44) | TP53TSHRALDH1A1CALM1NR1H2 | |
| SCHEMBL9395724 | 0.73 | TP53 (0.44) | TP53TSHRALDH1A1CALM1NR1H2 | |
| SCHEMBL10952537 | 0.73 | TP53 (0.44) | TP53TSHRALDH1A1CALM1NR1H2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0364344-B1 | Novel peptidase inhibitors | MERRELL PHARMA INC (US) | 1998-05-06 | — | — | EP | disclosed |
| US-5736520-A | INHIBITING CALPAIN BY ADMINISTERING A DIPEPTIDE OF THE FORMULA BENZYLCARBONYLOXYVAL-NH-CH(-R2)-CHO WHERE R2 IS THE SIDE CHAIN OF PHE; ANTICARCINOGENIC,-ARTHRITIC AND CARDIOTONIC AGENTS; COAGULANTS; STROKE | MERRELL PHARMACEUTICALS INC. (US) | 1998-04-07 | — | — | US | disclosed |
| EP-0363284-B1 | Use of peptidase inhibitors for the preparation of medicaments useful for the treatment of strokes | MERRELL PHARMA INC (US) | 1997-05-14 | — | — | EP | disclosed |
| EP-0364344-A2 | Novel peptidase inhibitors | MERRELL PHARMACEUTICALS INC. (US) | 1990-04-18 | — | — | EP | disclosed |
| EP-0363284-A2 | Use of peptidase inhibitors for the preparation of medicaments useful for the treatment of strokes | MERRELL PHARMACEUTICALS INC. (US) | 1990-04-11 | — | — | EP | disclosed |