Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | MDM2 | Q00987 | 6/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29872382 | 0.88 | ALDH1A1 (0.51) | ALDH1A1MDM2LMNAGAAHTT | |
| SCHEMBL30121977 | 0.83 | MDM2 (0.64) | ALDH1A1MEN1KMT2AMDM2LMNA | |
| SCHEMBL17366169 | 0.77 | MDM2 (0.58) | ALDH1A1MDM2GAAHTTNPSR1 | |
| SCHEMBL17366151 | 0.77 | MDM2 (0.58) | ALDH1A1MEN1KMT2AMDM2LMNA | |
| SCHEMBL17366174 | 0.77 | MDM2 (0.58) | ALDH1A1MEN1KMT2AMDM2LMNA | |
| SCHEMBL8273178 | 0.76 | GAA (0.55) | ALDH1A1MDM2GAATP53MAPT | |
| SCHEMBL20100175 | 0.75 | MDM2 (0.44) | ALDH1A1MEN1PKMKMT2AMDM2 | |
| SCHEMBL8272076 | 0.74 | TP53 (0.59) | ALDH1A1MEN1KMT2AMDM2GAA | |
| SCHEMBL17366179 | 0.74 | MDM2 (0.55) | ALDH1A1MEN1KMT2AMDM2TP53 | |
| SCHEMBL17366150 | 0.74 | MDM2 (0.55) | ALDH1A1MDM2GAAHTTNPSR1 |
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-2960233-B1 | NEW THERAPEUTIC AGENTS | CANCER RESEARCH TECH LTD (GB) | 2019-10-30 | — | — | EP | disclosed |
| EP-2960233-A1 | NEW THERAPEUTIC AGENTS | Cancer Research Technology Limited (GB) | 2015-12-30 | — | — | EP | disclosed |