Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | PTPRC | P08575 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL677718 | 0.88 | TSHR (0.55) | CHRNB2CHRNA4TSHRLMNAACHE | |
| SCHEMBL27632004 | 0.85 | TSHR (0.52) | CHRNB2CHRNA4TSHRLMNAACHE | |
| SCHEMBL15228420 | 0.85 | TSHR (0.52) | CHRNB2CHRNA4TSHRLMNAACHE | |
| SCHEMBL27842046 | 0.85 | TSHR (0.52) | CHRNB2CHRNA4TSHRLMNAACHE | |
| SCHEMBL19387684 | 0.82 | CHRNB2 (0.51) | CHRNB2CHRNA4TSHRLMNAACHE | |
| SCHEMBL9162898 | 0.82 | TSHR (0.48) | CHRNB2CHRNA4TSHRLMNAACHE | |
| SCHEMBL14931865 | 0.81 | PPARA (0.49) | CHRNB2CHRNA4TSHRLMNAACHE | |
| SCHEMBL7111679 | 0.81 | MEN1 (0.48) | CHRNB2CHRNA4TSHRLMNAACHE | |
| SCHEMBL10513091 | 0.81 | TSHR (0.55) | CHRNB2CHRNA4TSHRLMNAACHE | |
| SCHEMBL29469269 | 0.81 | KMT2A (0.58) | CHRNB2CHRNA4TSHRLMNAACHE |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3873474-A1 | HETEROCYCLIC COMPOUNDS AS BET INHIBITORS | Nuvation Bio Inc. (US) | 2021-09-08 | — | — | EP | disclosed |
| EP-3331851-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | Quadriga Biosciences, Inc. (US) | 2018-06-13 | — | — | EP | disclosed |
| WO-2017024009-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | QUADRIGA BIOSCIENCES, INC. (US) | 2017-02-09 | — | — | WO | disclosed |
| EP-1303272-A2 | BENZOTHIAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-23 | — | — | EP | disclosed |
| WO-2001097786-A2 | BENZOTHIAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-12-27 | — | — | WO | disclosed |