Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 4/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | GALK1 | P51570 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL19308568 | 0.91 | DHODH (0.43) | DHODHHDAC6ESR1ALOX5APFEN1 | |
| SCHEMBL23240088 | 0.90 | FEN1 (0.42) | HDAC6ESR1ALOX5APFEN1PDE3B | |
| SCHEMBL19493701 | 0.90 | PTGS1 (0.42) | DHODHHDAC6ESR1ALOX5APFEN1 | |
| SCHEMBL23240031 | 0.88 | FEN1 (0.44) | DHODHHDAC6ESR1ALOX5APFEN1 | |
| SCHEMBL23510984 | 0.88 | ALOX5AP (0.43) | ALOX5APFEN1MEN1KMT2ALMNA | |
| SCHEMBL23240080 | 0.86 | MEN1 (0.40) | DHODHHDAC6ESR1ALOX5APFEN1 | |
| SCHEMBL23240076 | 0.86 | ALOX5AP (0.44) | ALOX5APFEN1MEN1KMT2ALMNA | |
| SCHEMBL19935706 | 0.83 | DHODH (0.44) | DHODHPDE3BPDE3AMEN1KMT2A | |
| SCHEMBL19993178 | 0.82 | ESR1 (0.38) | ESR1ALOX5APFEN1PDE3BPDE3A | |
| SCHEMBL20663902 | 0.82 | MEN1 (0.48) | DHODHESR1ALOX5APFEN1MEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022128845-A1 | HETEROAROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-06-23 | — | — | WO | disclosed |
| WO-2022129018-A1 | HETEROAROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-06-23 | — | — | WO | disclosed |
| WO-2022090099-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-05-05 | — | — | WO | disclosed |
| WO-2021069535-A1 | FLUORINATED AROMATIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2021-04-15 | — | — | WO | disclosed |
| EP-3543313-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-10-07 | — | — | EP | disclosed |
| EP-3543314-A1 | LIQUID-CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2019-09-25 | — | — | EP | disclosed |