Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 SCHEMBL10488233 | 0.98 | CYP1A2 (0.37) | CYP1A2SLC2A1CD274NPBWR1KMT2A | |
| SCHEMBL10488213 | 0.86 | CYP1A2 (0.40) | CYP1A2SLC2A1CD274NPBWR1KMT2A | |
| SCHEMBL10488212 | 0.85 | CYP1A2 (0.37) | CYP1A2SLC2A1CD274NPBWR1KMT2A | |
| SCHEMBL10488852 | 0.85 | CD274 (0.42) | CYP1A2SLC2A1CD274NPBWR1KMT2A | |
| Hydrochloric Acid SCHEMBL10571382 | 0.85 | CYP1A2 (0.39) | CYP1A2SLC2A1CD274NPBWR1KMT2A | |
| Hydrochloric Acid SCHEMBL10488854 | 0.84 | NPBWR1 (0.37) | CYP1A2SLC2A1CD274NPBWR1KMT2A | |
| SCHEMBL10488837 | 0.83 | KMT2A (0.38) | CYP1A2SLC2A1CD274NPBWR1KMT2A | |
| Hydrochloric Acid SCHEMBL10570896 | 0.83 | CD274 (0.41) | CYP1A2SLC2A1CD274NPBWR1KMT2A | |
| SCHEMBL10488886 | 0.83 | KDM4E (0.40) | CYP1A2SLC2A1CD274LMNAGAA | |
| Hydrochloric Acid SCHEMBL10488883 | 0.82 | KMT2A (0.40) | CYP1A2SLC2A1CD274NPBWR1KMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0125702-B1 | POLYCYCLIC AROMATIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1987-08-12 | — | — | EP | claimed |
| EP-0125702-A2 | Polycyclic aromatic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1984-11-21 | — | — | EP | claimed |
| US-4803226-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-02-07 | — | — | US | disclosed |
| US-4803221-A | Anthracene derivatives | BURROUGHS WELLCOME CO. (US) | 1989-02-07 | — | — | US | disclosed |
| US-4719047-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | US | disclosed |
| US-4719049-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | US | disclosed |
| EP-0125702-A2 | Polycyclic aromatic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1984-11-21 | — | — | EP | disclosed |