Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.52 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | MITF | O75030 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | MTOR | P42345 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29944867 | 0.85 | HDAC8 (0.63) | ALDH1A1KDM4ESMN1; SMN2NPSR1HSD17B10 | |
| SCHEMBL520073 | 0.85 | HDAC8 (0.63) | ALDH1A1KDM4ESMN1; SMN2NPSR1HSD17B10 | |
| SCHEMBL7867966 | 0.84 | ALDH1A1 (0.54) | ALDH1A1KDM4ESMN1; SMN2NPSR1HSD17B10 | |
| SCHEMBL7188655 | 0.83 | SMN1; SMN2 (0.54) | ALDH1A1KDM4ESMN1; SMN2NPSR1HSD17B10 | |
| SCHEMBL6999270 | 0.83 | PBRM1 (0.58) | ALDH1A1KDM4ESMN1; SMN2NPSR1HSD17B10 | |
| SCHEMBL9921285 | 0.80 | SMN1; SMN2 (0.59) | ALDH1A1KDM4ESMN1; SMN2NPSR1HSD17B10 | |
| SCHEMBL11593734 | 0.80 | PTGS1 (0.67) | ALDH1A1KDM4ESMN1; SMN2NPSR1HSD17B10 | |
| SCHEMBL8297913 | 0.80 | ALDH1A1 (0.54) | ALDH1A1KDM4ESMN1; SMN2NPSR1HSD17B10 | |
| SCHEMBL294944 | 0.79 | KDM4E (0.66) | ALDH1A1KDM4ESMN1; SMN2NPSR1HSD17B10 | |
| SCHEMBL6159659 | 0.79 | KDM4E (0.62) | ALDH1A1KDM4ESMN1; SMN2NPSR1HSD17B10 |
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-0508796-B1 | Cholecystokinin antagonists | MERCK & CO INC (US) | 1998-07-08 | — | — | EP | disclosed |
| US-5220018-A | Benzodiazepine derivatives | MERCK & CO., INC. (US) | 1993-06-15 | — | — | US | disclosed |
| EP-0508796-A1 | Cholecystokinin antagonists | MERCK & CO. INC. (US) | 1992-10-14 | — | — | EP | disclosed |