Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | FPR2 | P25090 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16617406 | 0.86 | POLB (0.44) | ALDH1A1POLBTSHRHTT | |
| SCHEMBL16617407 | 0.86 | POLB (0.44) | ALDH1A1POLBTSHRHTT | |
| SCHEMBL16638017 | 0.81 | MEN1 (0.38) | MEN1KMT2AGAAHSD11B1ALDH1A1 | |
| SCHEMBL16617692 | 0.80 | GRK2 (0.42) | MEN1KMT2APOLBHTT | |
| SCHEMBL13011542 | 0.72 | TP53 (0.53) | MEN1KMT2AALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL28405577 | 0.72 | TP53 (0.53) | MEN1KMT2AALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL6900183 | 0.72 | TP53 (0.53) | MEN1KMT2AALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL234644 | 0.72 | TP53 (0.53) | MEN1KMT2AALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL16646026 | 0.72 | POLB (0.43) | ALDH1A1POLBTSHRHTT | |
| SCHEMBL16624854 | 0.71 | POLB (0.48) | POLBTSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3055314-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015054089-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |