Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9078233 | 1.00 | KMT2A (0.47) | KMT2ACYP1A2MEN1CYP2C19POLB | |
| SCHEMBL9148465 | 0.87 | AKR1C3 (0.47) | KMT2ACYP1A2MEN1CYP2C19POLB | |
| SCHEMBL9040570 | 0.87 | AKR1C3 (0.47) | KMT2ACYP1A2MEN1CYP2C19POLB | |
| SCHEMBL9039669 | 0.85 | TRPA1 (0.49) | POLBTRPA1MAPTALDH1A1NPC1 | |
| SCHEMBL9141932 | 0.85 | TRPA1 (0.49) | POLBTRPA1MAPTALDH1A1NPC1 | |
| SCHEMBL9143111 | 0.83 | MAPT (0.43) | KMT2AMEN1POLBTRPA1MAPT | |
| SCHEMBL9040428 | 0.83 | MAPT (0.43) | KMT2AMEN1POLBTRPA1MAPT | |
| SCHEMBL9037814 | 0.83 | CYP1A2 (0.50) | KMT2ACYP1A2MEN1CYP2C19POLB | |
| SCHEMBL9078732 | 0.83 | CYP1A2 (0.50) | KMT2ACYP1A2MEN1CYP2C19POLB | |
| SCHEMBL9141472 | 0.82 | ALDH1A1 (0.46) | KMT2AMEN1POLBTRPA1MAPT |
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 |
| EP-0705250-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-04-10 | — | — | EP | 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 |