Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.50 |
| ▸ | CA12 | O43570 | 8/20 | 0.50 |
| ▸ | CA9 | Q16790 | 8/20 | 0.50 |
| ▸ | CA1 | P00915 | 8/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | HTR6 | P50406 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | RAF1 | P04049 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31527700 | 0.96 | KEAP1 (0.52) | CA2CA12CA9CA1CA7 | |
| Hydrochloric Acid SCHEMBL11538427 | 0.96 | KEAP1 (0.52) | CA2CA12CA9CA1CA7 | |
| SCHEMBL2968121 | 0.84 | L3MBTL1 (0.50) | CA2CA12CA9CA1CA7 | |
| SCHEMBL4261189 | 0.84 | HTR6 (0.67) | CA2CA12CA9CA1HTR6 | |
| SCHEMBL8261936 | 0.81 | GAA (0.58) | CA2CA12CA9CA1CA7 | |
| SCHEMBL25422867 | 0.80 | HTR6 (0.46) | HTR6KEAP1ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL25809466 | 0.80 | CA2 (0.47) | CA2CA12CA9CA1CA7 | |
| SCHEMBL23044077 | 0.79 | HTR6 (0.49) | HTR6KEAP1ALDH1A1NPC1L3MBTL1 | |
| SCHEMBL4825361 | 0.79 | DRD2 (0.62) | HTR6KEAP1ALDH1A1HPGDNPC1 | |
| SCHEMBL4875681 | 0.79 | HTR6 (0.55) | CA2CA12CA9CA1HTR6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009066060-A2 | 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE | TOPOTARGET A/S (DK) | 2009-05-28 | — | — | WO | disclosed |
| US-6200934-B1 | FOR COMBATING UNWANTED VEGETATION | BAYER AKTIENGESELLSCHAFT (DE) | 2001-03-13 | — | — | US | disclosed |
| CN-1218468-A | Substituted arylsulfonylamino (thio) carbonyl-triazolin (thi) ones as herbicides | BAYER AG (DE) | 1999-06-02 | — | — | CN | disclosed |
| EP-0888342-A1 | SUBSTITUTED ARYL SULPHONYL AMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONES AS HERBICIDES | BAYER AG (DE) | 1999-01-07 | — | — | EP | disclosed |
| US-5681840-A | ANTIDOPAMINERGIC AGENTS | ZENECA LIMITED (GB) | 1997-10-28 | — | — | US | disclosed |
| WO-1997032876-A1 | SUBSTITUTED ARYL SULPHONYL AMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONES AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-09-12 | — | — | WO | disclosed |
| EP-0533344-B1 | Methanoanthracenes as dopamine antagonists | ZENECA LTD (GB) | 1996-10-16 | — | — | EP | disclosed |
| US-5512575-A | ANTISEROTONINE AGENT | ZENECA LIMITED (GB) | 1996-04-30 | — | — | US | disclosed |
| EP-0533344-A1 | Methanoanthracenes as dopamine antagonists | ZENECA LIMITED (GB) | 1993-03-24 | — | — | EP | disclosed |