Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | APEX1 | P27695 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.58 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.58 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.58 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.58 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.58 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.58 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.58 |
| ▸ | GSK3B | P49841 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL1374066 | 0.94 | ALDH1A1 (0.64) | ALDH1A1HSD17B10LMNAALOX15APEX1 | |
| SCHEMBL153386 | 0.85 | ALDH1A1 (0.76) | ALDH1A1HSD17B10LMNAALOX15APEX1 | |
| SCHEMBL6279662 | 0.84 | MMP1 (0.61) | ALDH1A1HSD17B10LMNAHDAC3HDAC4 | |
| SCHEMBL16203309 | 0.84 | KMT2A (0.68) | ALDH1A1HSD17B10LMNAALOX15APEX1 | |
| SCHEMBL29291728 | 0.84 | HDAC3 (0.59) | ALDH1A1HSD17B10LMNAALOX15APEX1 | |
| SCHEMBL11139974 | 0.83 | NPC1 (0.60) | ALDH1A1LMNATDP1NPC1KMT2A | |
| SCHEMBL11139976 | 0.83 | ALDH1A1 (0.55) | ALDH1A1HSD17B10LMNAALOX15APEX1 | |
| SCHEMBL29242089 | 0.82 | NPC1 (0.60) | ALDH1A1HSD17B10LMNAALOX15APEX1 | |
| SCHEMBL7859470 | 0.81 | KMT2A (0.64) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL29219054 | 0.81 | ALDH1A1 (0.66) | ALDH1A1HSD17B10LMNAALOX15APEX1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4382012-A | Liquid crystalline diketones | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1983-05-03 | — | — | US | disclosed |
| US-4297515-A | Diketones useful as liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-10-27 | — | — | US | disclosed |