Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 4/20 | 0.42 |
| ▸ | ACHE | P22303 | 3/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1801049 | 0.80 | HDAC8 (0.47) | HDAC8HDAC4HDAC2KIF11ACHE | |
| SCHEMBL16952408 | 0.80 | HDAC8 (0.42) | HDAC8HDAC4HDAC2KIF11ACHE | |
| SCHEMBL936277 | 0.80 | PTPN1 (0.51) | HDAC8HDAC4HDAC2KIF11ACHE | |
| SCHEMBL1858907 | 0.80 | TSHR (0.48) | ALDH1A1PTPN1 | |
| SCHEMBL179266 | 0.80 | KIF11 (0.50) | HDAC8HDAC4HDAC2KIF11ACHE | |
| SCHEMBL6752536 | 0.77 | APP (0.35) | MAPT | |
| SCHEMBL129151 | 0.77 | HDAC8 (0.56) | HDAC8HDAC4HDAC2KIF11ACHE | |
| SCHEMBL28676056 | 0.77 | HDAC8 (0.40) | HDAC8HDAC4HDAC2KIF11ACHE | |
| Water SCHEMBL29289408 | 0.75 | HDAC8 (0.54) | HDAC8HDAC4HDAC2KIF11ACHE | |
| SCHEMBL4513477 | 0.74 | KIF11 (0.41) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5516904-A | SKIN AND IMMUNE DISORDERS; ANTIARTHRITIC AGENTS; WOUND HEALING AGENTS | ALLERGAN, INC. (US) | 1996-05-14 | — | — | US | disclosed |
| EP-0436398-B1 | Acetylenes disubstituted with a heteroaromatic group and a substituted phenyl group having retinoid like activity | ALLERGAN INC (US) | 1996-01-31 | — | — | EP | disclosed |
| US-5414007-A | Skin disorders | ALLERGAN, INC. (US) | 1995-05-09 | — | — | US | disclosed |
| US-5264456-A | Skin disorders, anticarcinogenic agents, antiarthritic agents, immunology or wound healing agents | ALLERGAN, INC. (US) | 1993-11-23 | — | — | US | disclosed |
| US-5175185-A | Antiacne agents | ALLERGAN, INC. (US) | 1992-12-29 | — | — | US | disclosed |
| EP-0436398-A1 | Acetylenes disubstituted with a heteroaromatic group and a substituted phenyl group having retinoid like activity | ALLERGAN, INC. (US) | 1991-07-10 | — | — | EP | disclosed |