Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.33 |
| ▸ | USP8 | P40818 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.31 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | NQO1 | P15559 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13767210 | 0.81 | USP8 (0.35) | HTTALDH1A1USP8L3MBTL1KMT2A | |
| SCHEMBL13349444 | 0.73 | APOBEC3A (0.40) | HTTALDH1A1CYP1B1NPC1RAB9A | |
| SCHEMBL13848578 | 0.72 | SMN1; SMN2 (0.42) | HTTALDH1A1NPC1RAB9AL3MBTL1 | |
| SCHEMBL4441582 | 0.72 | AKR1C3 (0.49) | L3MBTL1CYP2A6CYP1A2CYP2C9NQO1 | |
| SCHEMBL4171846 | 0.72 | ALDH1A1 (0.49) | HTTALDH1A1L3MBTL1CYP2A6CYP1A2 | |
| SCHEMBL13078047 | 0.70 | KDM4E (0.46) | ALDH1A1NPC1RAB9AL3MBTL1KMT2A | |
| SCHEMBL4170506 | 0.70 | CHRM2 (0.46) | L3MBTL1KMT2A | |
| SCHEMBL14095369 | 0.69 | ALDH1A1 (0.42) | HTTALDH1A1NPC1RAB9AL3MBTL1 | |
| SCHEMBL11933957 | 0.69 | CYP1B1 (0.44) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL4168433 | 0.68 | ALDH1A1 (0.41) | ALDH1A1CYP1B1KMT2AGAAMAPT |
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-7528163-B2 | N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye | MERCK & CO. INC. (US) | 2009-05-05 | — | — | US | disclosed |
| US-7410992-B2 | Ophthalmic compositions for treating ocular hypertension | MERCK & CO. INC. (US) | 2008-08-12 | — | — | US | disclosed |