Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 5/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.58 |
| ▸ | BCHE | P06276 | 1/20 | 0.58 |
| ▸ | CES1 | P23141 | 1/20 | 0.58 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | CASP7 | P55210 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.48 |
| ▸ | FEN1 | P39748 | 1/20 | 0.48 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| 1,8-Naphthalic Anhydride SCHEMBL30415 | 0.85 | TYMS (1.00) | TYMSALDH1A1MCL1CES2BCHE | |
| 1,8-Naphthalic Anhydride SCHEMBL29351054 | 0.85 | TYMS (1.00) | TYMSALDH1A1MCL1CES2BCHE | |
| 1,8-Naphthalic Anhydride SCHEMBL11692800 | 0.83 | TYMS (0.95) | TYMSALDH1A1MCL1CES2BCHE | |
| 1,8-Naphthalic Anhydride SCHEMBL6929962 | 0.83 | TYMS (0.95) | TYMSALDH1A1MCL1CES2BCHE | |
| 1,8-Naphthalic Anhydride SCHEMBL10012400 | 0.81 | TYMS (0.91) | TYMSALDH1A1MCL1CES2BCHE | |
| SCHEMBL9264368 | 0.78 | TYMS (0.47) | TYMSALDH1A1MCL1CES2BCHE | |
| SCHEMBL15119577 | 0.77 | TYMS (0.75) | TYMSALDH1A1MCL1CES2BCHE | |
| 1,8-Naphthalic Anhydride SCHEMBL21046340 | 0.77 | TYMS (0.83) | TYMSALDH1A1MCL1CES2BCHE | |
| 1,8-Naphthalic Anhydride SCHEMBL29143033 | 0.77 | TYMS (0.83) | TYMSALDH1A1MCL1CES2BCHE | |
| SCHEMBL18845631 | 0.74 | ALDH1A1 (0.62) | TYMSALDH1A1MCL1CES2BCHE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0683768-A1 | UNSYMMETRICAL BIS-IMIDES AS ANTICANCER AGENTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-11-29 | — | — | EP | disclosed |
| WO-1995008539-A1 | IMPROVED METHODS FOR PREPARING BIS-IMIDE COMPOUNDS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-03-30 | — | — | WO | disclosed |
| US-5359070-A | ANTITUMOR AGENTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-10-25 | — | — | US | disclosed |
| WO-1994018171-A1 | UNSYMMETRICAL BIS-IMIDES AS ANTICANCER AGENTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-08-18 | — | — | WO | disclosed |