Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.60 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | NQO1 | P15559 | 1/20 | 0.52 |
| ▸ | RAD52 | P43351 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | NQO2 | P16083 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | RAC1 | P63000 | 2/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | KRAS | P01116 | 1/20 | 0.47 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13100481 | 0.96 | ALDH1A1 (0.56) | ALDH1A1HSD17B10CYP1B1HIF1AMAPT | |
| SCHEMBL27751211 | 0.87 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HIF1AMAPTNQO1 | |
| SCHEMBL21331548 | 0.86 | ALDH1A1 (0.54) | ALDH1A1HSD17B10CYP1B1HIF1AMAPT | |
| SCHEMBL21331587 | 0.85 | ALDH1A1 (0.52) | ALDH1A1HSD17B10CYP1B1HIF1AMAPT | |
| SCHEMBL9765553 | 0.85 | MEN1 (0.54) | ALDH1A1MAPTNQO1RAD52TDP1 | |
| SCHEMBL1128095 | 0.83 | NQO1 (0.56) | ALDH1A1HSD17B10CYP1B1HIF1AMAPT | |
| SCHEMBL25622471 | 0.82 | MAPT (0.53) | ALDH1A1HSD17B10CYP1B1HIF1AMAPT | |
| SCHEMBL29148429 | 0.82 | MAPT (0.49) | ALDH1A1HSD17B10CYP1B1HIF1AMAPT | |
| SCHEMBL31258868 | 0.82 | MAPT (0.49) | ALDH1A1HSD17B10CYP1B1HIF1AMAPT | |
| Hydrochloric Acid SCHEMBL27730723 | 0.81 | NQO1 (0.54) | ALDH1A1HSD17B10CYP1B1HIF1AMAPT |
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-0705250-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-04-10 | — | — | EP | disclosed |