Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 8/20 | 0.53 |
| ▸ | HPGD | P15428 | 8/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28469002 | 0.85 | HPGD (0.53) | MAPTHPGDALDH1A1HSD17B10 | |
| SCHEMBL28474571 | 0.84 | HPGD (0.51) | MAPTHPGDALDH1A1HSD17B10TDP1 | |
| SCHEMBL28477567 | 0.84 | HPGD (0.51) | MAPTHPGDALDH1A1HSD17B10TDP1 | |
| SCHEMBL28474544 | 0.84 | HPGD (0.51) | MAPTHPGDALDH1A1HSD17B10TDP1 | |
| SCHEMBL21605354 | 0.83 | HPGD (0.54) | MAPTHPGDALDH1A1HSD17B10KMT2A | |
| SCHEMBL28900462 | 0.81 | HPGD (0.56) | MAPTHPGDALDH1A1HSD17B10KMT2A | |
| SCHEMBL7514358 | 0.76 | HPGD (0.59) | MAPTHPGDALDH1A1HSD17B10KMT2A | |
| SCHEMBL13806906 | 0.75 | MAPT (0.58) | MAPTHPGDALDH1A1HSD17B10KMT2A | |
| SCHEMBL28679721 | 0.73 | HPGD (0.56) | MAPTHPGDALDH1A1HSD17B10KMT2A | |
| SCHEMBL9494126 | 0.73 | MAPT (0.47) | MAPTHPGDALDH1A1HSD17B10KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9962383-B2 | Compounds, compositions and methods of agelastatin alkaloids | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2018-05-08 | — | — | US | disclosed |