Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | PTGIR | P43119 | 3/20 | 0.38 |
| ▸ | PTGDR | Q13258 | 2/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.37 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL1136766 | 0.83 | CYP3A4 (0.48) | KMT2A | |
| SCHEMBL8242543 | 0.82 | HTT (0.42) | ALDH1A1PTGIRPTGDRESR1ESR2 | |
| SCHEMBL10272760 | 0.81 | POLQ (0.49) | ALDH1A1 | |
| SCHEMBL16111874 | 0.81 | SMN1; SMN2 (0.43) | ALDH1A1NPC1POLBHTTRAB9A | |
| SCHEMBL29063529 | 0.81 | CYP2C9 (0.43) | ALDH1A1PTGIRPTGDRNPC1POLB | |
| SCHEMBL8405808 | 0.80 | KIF11 (0.44) | ALDH1A1 | |
| SCHEMBL830792 | 0.80 | ALDH1A1 (0.59) | ALDH1A1NPC1POLBHTTRAB9A | |
| SCHEMBL10364096 | 0.79 | HDAC3 (0.44) | ALDH1A1ESR1ESR2 | |
| SCHEMBL8243336 | 0.78 | ALDH1A1 (0.41) | ALDH1A1PTGIRPTGDRPOLBHTT | |
| SCHEMBL5808336 | 0.77 | KCNN4 (0.45) | ALDH1A1KCNN4ESR1ESR2NR3C2 |
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-1896395-B1 | MODIFIED MALONATE DERIVATIVES | MERCK SHARP & DOHME (US) | 2015-07-15 | — | — | EP | disclosed |
| EP-1896395-A2 | MODIFIED MALONATE DERIVATIVES | Merck & Co., Inc. (US) | 2008-03-12 | — | — | EP | disclosed |
| WO-2007002248-A2 | MODIFIED MALONATE DERIVATIVES | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | disclosed |