Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 3/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | UBE2N | P61088 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL8716566 | 0.98 | CYP2D6 (0.46) | CYP2D6CYP2C19SMN1; SMN2HTR2AHTR2C | |
| SCHEMBL8711162 | 0.91 | CYP2D6 (0.50) | CYP2D6CYP2C19SMN1; SMN2HTR2AHTR2C | |
| SCHEMBL8710662 | 0.89 | CYP2C19 (0.51) | CYP2D6CYP2C19SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL9228248 | 0.89 | CYP2D6 (0.51) | CYP2D6CYP2C19HTR2AHTR2CHTR7 | |
| Oxalic Acid SCHEMBL8713255 | 0.88 | CYP2D6 (0.48) | CYP2D6CYP2C19SMN1; SMN2HTR2AHTR2C | |
| SCHEMBL8716680 | 0.88 | CYP2D6 (0.48) | CYP2D6CYP2C19SMN1; SMN2HTR2AHTR2C | |
| SCHEMBL8713673 | 0.88 | CYP2D6 (0.47) | CYP2D6CYP2C19HTR2AKMT2AMEN1 | |
| SCHEMBL9231540 | 0.87 | CYP2D6 (0.47) | CYP2D6CYP2C19SMN1; SMN2HTR2AHTR2C | |
| SCHEMBL9231532 | 0.87 | CYP2D6 (0.47) | CYP2D6CYP2C19SMN1; SMN2HTR2AHTR2C | |
| Oxalic Acid SCHEMBL9229973 | 0.87 | CYP2D6 (0.49) | CYP2D6CYP2C19SMN1; SMN2HTR2AHTR2C |
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-5739145-A | MORPHINAN DERIVATIVES | TORAY INDUSTRIES, INC. (JP) | 1998-04-14 | — | — | US | disclosed |
| US-5728835-A | HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS | TOA EIYO, LTD. (JP) | 1998-03-17 | — | — | US | disclosed |
| EP-0661266-A1 | Substituted cyclic amine compounds as 5HT2 antagonists | TOA EIYO LTD. (JP) | 1995-07-05 | — | — | EP | disclosed |