Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Methylpiperazine SCHEMBL11767503 | 0.88 | CYP1A2 (0.43) | CYP1A2SIGMAR1ALDH1A1KMT2AMEN1 | |
| Methylpiperazine SCHEMBL11763811 | 0.82 | RXFP1 (0.44) | CYP1A2SIGMAR1ALDH1A1KMT2AMAPT | |
| SCHEMBL41202 | 0.77 | CYP1A2 (1.00) | CYP1A2ALDH1A1KMT2AMAPTTSHR | |
| Tert-Butylbenzene SCHEMBL28078162 | 0.76 | HTR3A (0.47) | SIGMAR1CHRM1CHRM3CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL8724939 | 0.75 | CYP1A2 (0.95) | CYP1A2ALDH1A1KMT2AMAPTTSHR | |
| Benzoic Acid SCHEMBL395252 | 0.75 | SIGMAR1 (0.58) | SIGMAR1ALDH1A1KMT2AMEN1POLB | |
| Acetophenone SCHEMBL27904023 | 0.73 | OPRD1 (0.59) | SIGMAR1ALDH1A1KMT2AMEN1MAPT | |
| Benzamide SCHEMBL1472873 | 0.72 | OPRD1 (0.57) | SIGMAR1ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL4557805 | 0.72 | SIGMAR1 (0.42) | CYP1A2SIGMAR1CHRM1CHRM3CHRM4 | |
| SCHEMBL632160 | 0.72 | SIGMAR1 (0.50) | CYP1A2SIGMAR1CHRM1CHRM3CHRM4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4018924-A | Phenyl-imidazolyl-acetamide derivatives | BAYER AKTIENGESELLSCHAFT (DT) | 1977-04-19 | — | — | US | disclosed |