Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | ACLY | P53396 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | RARB | P10826 | 2/20 | 0.36 |
| ▸ | RARA | P10276 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL21884742 | 0.95 | KMT2A (0.40) | KMT2ASMN1; SMN2ESR1HIF1ARECQL | |
| SCHEMBL20662717 | 0.94 | KMT2A (0.41) | KMT2ASMN1; SMN2ESR1HIF1ARECQL | |
| SCHEMBL9607895 | 0.91 | ELANE (0.47) | KMT2AHIF1AELANEATMAPP | |
| SCHEMBL21432853 | 0.89 | ELANE (0.39) | KMT2AELANEATMAPPCYP2C19 | |
| SCHEMBL19882279 | 0.88 | ELANE (0.40) | KMT2AELANEATMAPPCYP2C19 | |
| SCHEMBL20998246 | 0.88 | KMT2A (0.42) | KMT2ASMN1; SMN2ESR1HIF1ARECQL | |
| SCHEMBL26051060 | 0.86 | KMT2A (0.41) | KMT2ASMN1; SMN2ESR1HIF1ARECQL | |
| SCHEMBL19497304 | 0.86 | ACLY (0.41) | KMT2ASMN1; SMN2ESR1HIF1ARECQL | |
| SCHEMBL20312050 | 0.86 | ACHE (0.42) | KMT2ASMN1; SMN2ESR1HIF1ARECQL | |
| SCHEMBL19497322 | 0.86 | ELANE (0.52) | KMT2AHIF1AELANEATMAPP |
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-3489329-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2022-01-12 | — | — | EP | disclosed |
| EP-3067406-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2019-04-24 | — | — | EP | disclosed |