Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 5/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | BCL2 | P10415 | 1/20 | 0.31 |
| ▸ | PTPRC | P08575 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | S100A4 | P26447 | 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 | |
|---|---|---|---|---|
| SCHEMBL148025 | 0.87 | TYMS (0.62) | TYMSALOX15TDP1ALDH1A1POLB | |
| SCHEMBL502543 | 0.83 | TYMS (0.48) | TYMSALOX15TDP1ALDH1A1POLB | |
| SCHEMBL30606666 | 0.77 | TYMS (0.52) | TYMSALOX15TDP1ALDH1A1POLB | |
| SCHEMBL36626 | 0.77 | TYMS (0.52) | TYMSALOX15TDP1ALDH1A1POLB | |
| SCHEMBL29349446 | 0.77 | TYMS (0.52) | TYMSALOX15TDP1ALDH1A1POLB | |
| SCHEMBL15119575 | 0.77 | TDP1 (0.65) | TYMSALOX15TDP1ALDH1A1POLB | |
| SCHEMBL13009255 | 0.77 | TYMS (0.52) | TYMSALOX15TDP1ALDH1A1POLB | |
| SCHEMBL31185814 | 0.77 | TYMS (0.52) | TYMSALOX15TDP1ALDH1A1POLB | |
| SCHEMBL127867 | 0.76 | TSHR (0.54) | TYMSALOX15TDP1ALDH1A1POLB | |
| SCHEMBL128103 | 0.74 | TYMS (0.41) | TYMSALOX15TDP1ALDH1A1POLB |
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 |