Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.33 |
| ▸ | S100A4 | P26447 | 2/20 | 0.31 |
| ▸ | CDC25A | P30304 | 2/20 | 0.31 |
| ▸ | CDC25B | P30305 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.31 |
| ▸ | TDP2 | O95551 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
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 SCHEMBL10488363 | 0.99 | KDM4E (0.38) | KDM4ESLC2A1CYP1A2CD274MAPK1 | |
| SCHEMBL10488327 | 0.87 | SLC2A1 (0.35) | SLC2A1CYP1A2CD274KMT2AHPGD | |
| Hydrochloric Acid SCHEMBL10488518 | 0.86 | SLC2A1 (0.34) | SLC2A1CYP1A2CD274KMT2ANPBWR1 | |
| SCHEMBL10488217 | 0.84 | SLC2A1 (0.36) | KDM4ESLC2A1CYP1A2CD274KMT2A | |
| Hydrochloric Acid SCHEMBL10488317 | 0.82 | HTT (0.38) | KDM4ESLC2A1CYP1A2CD274KMT2A | |
| Hydrochloric Acid SCHEMBL10488568 | 0.82 | KDM4E (0.36) | KDM4ECYP1A2MAPK1CLK1S100A4 | |
| SCHEMBL10488213 | 0.80 | CYP1A2 (0.40) | SLC2A1CYP1A2CD274KMT2ATSHR | |
| Hydrochloric Acid SCHEMBL10571382 | 0.79 | CYP1A2 (0.39) | SLC2A1CYP1A2CD274KMT2ARAB9A | |
| SCHEMBL10488852 | 0.79 | CD274 (0.42) | KDM4ESLC2A1CYP1A2CD274MAPK1 | |
| SCHEMBL10488304 | 0.78 | SLC2A1 (0.45) | KDM4ESLC2A1CYP1A2CD274SMN1; SMN2 |
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 8 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-B1 | POLYCYCLIC AROMATIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1987-08-12 | — | — | EP | disclosed |
| EP-0125702-A2 | Polycyclic aromatic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1984-11-21 | — | — | EP | disclosed |