Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.47 |
| ▸ | ANO2 | Q9NQ90 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PTGES | O14684 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 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 | |
|---|---|---|---|---|
| SCHEMBL2152969 | 0.86 | TSHR (0.54) | ALDH1A1KDM4EHPGDNPSR1ANO1 | |
| SCHEMBL9077636 | 0.85 | CDK2 (0.47) | ALDH1A1HPGDANO1ANO2TSHR | |
| SCHEMBL9039057 | 0.84 | ALOX5 (0.48) | ALDH1A1KDM4EHPGDNPSR1ANO1 | |
| SCHEMBL9215091 | 0.83 | CDK2 (0.53) | ALDH1A1ANO1ANO2TSHRTDP1 | |
| SCHEMBL9078970 | 0.83 | ELANE (0.44) | ALDH1A1KDM4EHPGDNPSR1ANO1 | |
| SCHEMBL9080086 | 0.75 | KMT2A (0.46) | ALDH1A1KDM4EHPGDNPSR1TSHR | |
| SCHEMBL14255190 | 0.75 | MEN1 (0.45) | ALDH1A1KDM4EHPGDNPSR1ANO1 | |
| SCHEMBL1539120 | 0.75 | ALDH1A1 (0.66) | ALDH1A1KDM4EHPGDNPSR1TSHR | |
| SCHEMBL3855978 | 0.75 | TDP1 (0.57) | ALDH1A1KDM4EHPGDANO1ANO2 | |
| SCHEMBL11165201 | 0.74 | ALDH1A1 (0.43) | ALDH1A1KDM4EHPGDTDP1MAPT |
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 3 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 |
| 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 |