Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | TYMS | P04818 | 4/20 | 0.43 |
| ▸ | HNF4A | P41235 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PTPRC | P08575 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | S100A4 | P26447 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9038868 | 0.82 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2ATYMSCASP6 | |
| SCHEMBL9077614 | 0.81 | ALDH1A1 (0.54) | ALDH1A1TSHRTYMSHIF1AHSD17B10 | |
| SCHEMBL9208484 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TDP1MEN1KMT2ATYMS | |
| SCHEMBL9077996 | 0.80 | MAPT (0.52) | ALDH1A1TDP1MEN1KMT2AMAPK1 | |
| SCHEMBL9039042 | 0.78 | ALDH1A1 (0.47) | ALDH1A1TSHRTDP1MEN1KMT2A | |
| SCHEMBL5142990 | 0.78 | ALDH1A1 (0.57) | ALDH1A1TSHRTDP1CYP3A4MEN1 | |
| SCHEMBL9219065 | 0.78 | MAPT (0.48) | ALDH1A1TDP1MEN1KMT2ATYMS | |
| SCHEMBL3276659 | 0.77 | ALDH1A1 (0.59) | ALDH1A1TSHRTDP1MEN1KMT2A | |
| SCHEMBL29532369 | 0.77 | TYMS (0.61) | ALDH1A1TDP1MEN1KMT2ATYMS | |
| SCHEMBL1565380 | 0.77 | TYMS (0.61) | ALDH1A1TDP1MEN1KMT2ATYMS |
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 |
| 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 |