Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 3/20 | 0.45 |
| ▸ | ACHE | P22303 | 4/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 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 | |
|---|---|---|---|---|
| SCHEMBL129151 | 0.81 | HDAC8 (0.56) | HDAC8HDAC4HDAC2KIF11ACHE | |
| Water SCHEMBL29289408 | 0.78 | HDAC8 (0.54) | HDAC8HDAC4HDAC2KIF11ACHE | |
| SCHEMBL11239020 | 0.75 | TSHR (0.54) | ALDH1A1TDP1GAAMAPTTSHR | |
| Nitrogen SCHEMBL28547462 | 0.74 | HDAC8 (0.50) | HDAC8HDAC4HDAC2KIF11ACHE | |
| SCHEMBL30023786 | 0.74 | KIF11 (0.72) | HDAC8HDAC4HDAC2KIF11ACHE | |
| SCHEMBL5547288 | 0.74 | KIF11 (0.72) | HDAC8HDAC4HDAC2KIF11ACHE | |
| Methoxymethane SCHEMBL28022475 | 0.74 | HDAC8 (0.50) | HDAC8HDAC4HDAC2KIF11ACHE | |
| SCHEMBL5433181 | 0.73 | HDAC8 (0.45) | HDAC8HDAC4HDAC2KIF11ACHE | |
| SCHEMBL348758 | 0.72 | ACHE (0.55) | HDAC8HDAC4HDAC2KIF11ACHE | |
| SCHEMBL9492395 | 0.72 | HDAC8 (0.54) | HDAC8HDAC4HDAC2KIF11ACHE |
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-4339608-A | BUTANOL AND BUTANAL, COBALT, IODINE | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1982-07-13 | — | — | US | disclosed |