Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | TACR2 | P21452 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9016310 | 0.82 | TLR8 (0.47) | TLR8MEN1KMT2AESR1ADRA2A | |
| SCHEMBL26554134 | 0.82 | MEN1 (0.57) | TLR8MEN1KMT2AESR1ADRA2A | |
| SCHEMBL9307753 | 0.82 | TLR8 (0.47) | TLR8MEN1KMT2AESR1ADRA2A | |
| SCHEMBL9001595 | 0.80 | KDM4E (0.59) | MEN1KMT2AESR1KDM4EALDH1A1 | |
| SCHEMBL26553778 | 0.79 | MEN1 (0.53) | TLR8MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL20052139 | 0.79 | TLR8 (0.44) | TLR8MEN1KMT2AESR1ADRA2A | |
| SCHEMBL11734093 | 0.79 | TP53 (0.61) | MEN1KMT2AESR1ADRA2AADORA3 | |
| Hydrochloric Acid SCHEMBL25400160 | 0.78 | MEN1 (0.52) | TLR8MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL29437090 | 0.78 | MEN1 (0.56) | TLR8MEN1KMT2AKDM4EHSD17B10 | |
| SCHEMBL26553781 | 0.78 | MEN1 (0.56) | TLR8MEN1KMT2AKDM4EHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |