Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | TYMS | P04818 | 7/20 | 0.50 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.42 |
| ▸ | GABRE | P78334 | 1/20 | 0.42 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.42 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.42 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.42 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.42 |
| ▸ | PTPRC | P08575 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9077637 | 0.81 | ALDH1A1 (0.51) | ALDH1A1TYMSPTPRCBCHEACHE | |
| SCHEMBL9208484 | 0.79 | ALDH1A1 (0.41) | ALDH1A1TYMSCYP1A2LMNA | |
| SCHEMBL9041820 | 0.78 | ALDH1A1 (0.63) | ALDH1A1TYMSACHECES1CYP1A2 | |
| SCHEMBL9078978 | 0.78 | TYMS (0.46) | ALDH1A1TYMSGABRPGABRDGABRA1 | |
| SCHEMBL9080061 | 0.78 | TYMS (0.46) | ALDH1A1TYMSCYP1A2HIF1AHSD17B10 | |
| SCHEMBL9078671 | 0.78 | TYMS (0.43) | ALDH1A1TYMSTSHR | |
| SCHEMBL9079255 | 0.77 | TYMS (0.47) | ALDH1A1TYMSS100A4LMNATSHR | |
| SCHEMBL31268251 | 0.77 | ALDH1A1 (0.71) | ALDH1A1TYMSPTPRCBCHEACHE | |
| SCHEMBL9219065 | 0.76 | MAPT (0.48) | ALDH1A1TYMSLMNA | |
| SCHEMBL1565380 | 0.76 | TYMS (0.61) | ALDH1A1TYMS |
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 |
|---|---|---|---|---|---|---|---|
| US-5585382-A | ANTICARCINOGENIC AGENTS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-17 | — | — | US | disclosed |
| CN-1125943-A | Diimide polycyclic and heterocyclic chromophores as antitumor agents | DU PONT MERCK PHARMA (US) | 1996-07-03 | — | — | CN | disclosed |
| US-5416089-A | Antitumor agent | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-05-16 | — | — | US | disclosed |
| WO-1995000490-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-01-05 | — | — | WO | disclosed |