Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | PDE2A | O00408 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | PDE7A | Q13946 | 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 | |
|---|---|---|---|---|
| SCHEMBL11294647 | 0.84 | CA9 (0.59) | CYP3A4TDP1ALDH1A1LMNAS1PR4 | |
| SCHEMBL10422313 | 0.83 | NHERF1 (0.55) | TDP1ALDH1A1LMNARAB9AHTT | |
| SCHEMBL4622820 | 0.82 | ALDH1A1 (0.56) | CYP3A4TDP1ALDH1A1LMNAS1PR4 | |
| SCHEMBL11451900 | 0.80 | S1PR4 (0.53) | CYP3A4TDP1ALDH1A1LMNAS1PR4 | |
| SCHEMBL11505093 | 0.79 | CA2 (0.53) | CYP3A4TDP1ALDH1A1LMNAS1PR4 | |
| Nitrogen SCHEMBL10959967 | 0.79 | ALDH1A1 (0.53) | CYP3A4TDP1ALDH1A1LMNAS1PR4 | |
| SCHEMBL4939924 | 0.79 | ALDH1A1 (0.53) | CYP3A4TDP1ALDH1A1LMNAS1PR4 | |
| SCHEMBL9749274 | 0.79 | LMNA (0.47) | CYP3A4ALDH1A1LMNATSHRAPEX1 | |
| SCHEMBL9749683 | 0.78 | L3MBTL1 (0.43) | CYP3A4TDP1ALDH1A1TSHRALOX15 | |
| SCHEMBL23703081 | 0.76 | CA2 (0.67) | CYP3A4TDP1ALDH1A1CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0205079-B1 | ACID DISULFIMIDE TRIPHENODIOXAZINE DYES | BAYER AG (DE) | 1992-01-22 | — | — | EP | disclosed |
| EP-0205079-A2 | Acid disulfimide triphenodioxazine dyes | BAYER AG (DE) | 1986-12-17 | — | — | EP | disclosed |