Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4240183 | 0.81 | KDM4E (0.41) | TSHRALDH1A1GAAKMT2ASLC6A2 | |
| SCHEMBL8486695 | 0.77 | TSHR (0.47) | TSHRALDH1A1GAAKMT2ASLC6A2 | |
| SCHEMBL4245904 | 0.76 | SLC6A2 (0.45) | TSHRALDH1A1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL11932077 | 0.75 | SLC6A3 (0.51) | TSHRGAAKMT2ASLC6A2SLC6A3 | |
| SCHEMBL1164590 | 0.74 | POLB (0.41) | TSHRALDH1A1GAAKMT2ALMNA | |
| SCHEMBL10955574 | 0.73 | SLC6A2 (0.70) | TSHRKMT2ASLC6A2SLC6A3CYP3A4 | |
| SCHEMBL11366829 | 0.72 | SLC6A3 (0.48) | TSHRALDH1A1GAAKMT2ASLC6A2 | |
| SCHEMBL28632940 | 0.72 | SLC6A2 (0.67) | TSHRKMT2ASLC6A2SLC6A3CYP3A4 | |
| SCHEMBL6951792 | 0.70 | TSHR (0.51) | TSHRALDH1A1GAAKMT2ASLC6A2 | |
| SCHEMBL14862650 | 0.70 | SLC6A3 (0.46) | TSHRALDH1A1SLC6A2SLC6A3CYP3A4 |
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-5925646-A | Heterocyclic aryl-, alkyl- and cycloalkylacetamides | BAYER AKTIENGESELLSCHAFT (DE) | 1999-07-20 | — | — | US | disclosed |
| US-5747505-A | Heterocyclic aryl-, alkyl- and cycloalkylacetamides | BAYER AKTIENGESELLSCHAFT (DE) | 1998-05-05 | — | — | US | disclosed |