Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8619664 | 0.79 | TP53 (0.44) | TP53CALM1TSHRALDH1A1TRPA1 | |
| SCHEMBL8615436 | 0.75 | TP53 (0.43) | TP53CALM1TSHRALDH1A1IDO1 | |
| SCHEMBL28291474 | 0.75 | TP53 (0.50) | TP53CALM1TSHRALDH1A1IDO1 | |
| SCHEMBL988373 | 0.75 | TP53 (0.50) | TP53CALM1TSHRALDH1A1IDO1 | |
| SCHEMBL14838179 | 0.73 | TP53 (0.48) | TP53CALM1TSHRALDH1A1IDO1 | |
| SCHEMBL8616446 | 0.73 | TP53 (0.48) | TP53CALM1TSHRALDH1A1IDO1 | |
| SCHEMBL3503476 | 0.71 | TP53 (0.46) | TP53CALM1TSHRALDH1A1CES2 | |
| SCHEMBL11740122 | 0.71 | TP53 (0.46) | TP53CALM1TSHRALDH1A1CES2 | |
| SCHEMBL16107672 | 0.71 | TP53 (0.46) | TP53CALM1TSHRALDH1A1CES2 | |
| SCHEMBL15302665 | 0.71 | TP53 (0.46) | TP53CALM1TSHRALDH1A1CES2 |
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 |