Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK7 | P49862 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TYMS | P04818 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9079791 | 0.79 | KLK7 (0.71) | KLK7TYMS | |
| SCHEMBL9041820 | 0.73 | ALDH1A1 (0.63) | ALDH1A1MAOATYMSHSD17B10 | |
| SCHEMBL9077988 | 0.72 | ALDH1A1 (0.44) | KDM4EALDH1A1KMT2AMAOAMEN1 | |
| SCHEMBL1566252 | 0.71 | MAOA (0.65) | ALDH1A1KMT2AMAOAMEN1NPC1 | |
| SCHEMBL3952992 | 0.71 | KMT2A (0.60) | KDM4EALDH1A1GLAGAAKMT2A | |
| SCHEMBL6390636 | 0.70 | ALDH1A1 (0.40) | ALDH1A1MAOASMN1; SMN2TYMSHSD17B10 | |
| SCHEMBL6691636 | 0.70 | POLB (0.57) | KLK7KDM4EALDH1A1GLAGAA | |
| SCHEMBL6746166 | 0.70 | MAPT (0.62) | KDM4EALDH1A1GLAGAAKMT2A | |
| SCHEMBL9079764 | 0.69 | KMT2A (0.44) | KLK7KDM4EALDH1A1KMT2AMEN1 | |
| SCHEMBL17442371 | 0.69 | KLK7 (0.53) | KLK7KDM4EKMT2AMEN1NPC1 |
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 |