Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.33 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9114473 | 0.78 | TYMS (0.74) | TYMSALDH1A1CES1MCL1CES2 | |
| SCHEMBL28471709 | 0.76 | ALDH1A1 (0.50) | TYMSALDH1A1CES1MCL1CES2 | |
| SCHEMBL548271 | 0.75 | PARP1 (0.37) | TYMSALDH1A1CES1MCL1CES2 | |
| SCHEMBL9390822 | 0.70 | HSD17B10 (0.42) | ALDH1A1CES1MCL1CES2BCHE | |
| SCHEMBL10432889 | 0.70 | TDP1 (0.46) | TYMSALDH1A1KDM4EHPGDCYP1A2 | |
| SCHEMBL10490132 | 0.68 | ALDH1A1 (0.48) | TYMSALDH1A1CES1MCL1CES2 | |
| SCHEMBL4960210 | 0.68 | TYMS (0.62) | TYMSALDH1A1CES1MCL1CES2 | |
| SCHEMBL546727 | 0.68 | HSD17B10 (0.40) | ALDH1A1CES1MCL1CES2BCHE | |
| 1,8-Naphthalic Anhydride SCHEMBL30415 | 0.66 | TYMS (1.00) | TYMSALDH1A1CES1MCL1CES2 | |
| SCHEMBL4944634 | 0.66 | THRB (0.52) | ALDH1A1CES1MCL1CES2BCHE |
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-0683768-A1 | UNSYMMETRICAL BIS-IMIDES AS ANTICANCER AGENTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-11-29 | — | — | EP | disclosed |
| US-5359070-A | ANTITUMOR AGENTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-10-25 | — | — | US | disclosed |