Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.67 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.55 |
| ▸ | DRD4 | P21917 | 2/20 | 0.54 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.53 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.53 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10338967 | 0.93 | SIGMAR1 (0.57) | SIGMAR1MAOAMAOBDRD4ERCC1 | |
| SCHEMBL10340659 | 0.93 | DRD4 (0.57) | SIGMAR1MAOAMAOBDRD4ERCC1 | |
| SCHEMBL10340664 | 0.90 | SIGMAR1 (0.67) | SIGMAR1MAOAMAOBBCHEACHE | |
| SCHEMBL5504017 | 0.89 | SIGMAR1 (0.82) | SIGMAR1MAOAMAOBDRD4CXCR3 | |
| SCHEMBL10340421 | 0.89 | SIGMAR1 (0.58) | SIGMAR1MAOAMAOBDRD4CXCR3 | |
| SCHEMBL10340425 | 0.87 | SIGMAR1 (0.48) | SIGMAR1MAOAMAOBDRD4CXCR3 | |
| SCHEMBL10340309 | 0.87 | CCR5 (0.52) | SIGMAR1MAOAMAOB | |
| SCHEMBL10340427 | 0.86 | L3MBTL1 (0.60) | SIGMAR1MAOAMAOBMAPTSMN1; SMN2 | |
| SCHEMBL31486979 | 0.85 | SIGMAR1 (0.71) | SIGMAR1DRD4CHRM1 | |
| SCHEMBL10340415 | 0.84 | SIGMAR1 (0.67) | SIGMAR1DRD4CXCR3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0354568-A2 | Novel catechol derivatives | Japan Tobacco Inc. (JP) | 1990-02-14 | — | — | EP | claimed |