Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HASPIN | Q8TF76 | 3/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TYMS | P04818 | 4/20 | 0.37 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.36 |
| ▸ | PLK2 | Q9NYY3 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9208484 | 0.94 | ALDH1A1 (0.41) | ALDH1A1HASPINGSK3BLMNAMEN1 | |
| SCHEMBL9077637 | 0.82 | ALDH1A1 (0.51) | ALDH1A1LMNAMEN1KMT2AMAPT | |
| SCHEMBL9041055 | 0.78 | TYMS (0.45) | ALDH1A1LMNAKDM4EHTTTYMS | |
| SCHEMBL9077996 | 0.77 | MAPT (0.52) | ALDH1A1LMNAMEN1KMT2AMAPT | |
| SCHEMBL9039042 | 0.75 | ALDH1A1 (0.47) | ALDH1A1LMNAMEN1KMT2AMAPT | |
| SCHEMBL9077278 | 0.72 | ALDH1A1 (0.40) | ALDH1A1LMNAMEN1KMT2AMAPT | |
| SCHEMBL5142990 | 0.72 | ALDH1A1 (0.57) | ALDH1A1LMNAMEN1KMT2AMAPT | |
| SCHEMBL9219065 | 0.72 | MAPT (0.48) | ALDH1A1LMNAMEN1KMT2AMAPT | |
| SCHEMBL3276659 | 0.72 | ALDH1A1 (0.59) | ALDH1A1LMNAMEN1KMT2AMAPT | |
| SCHEMBL7709442 | 0.71 | ALDH1A1 (0.47) | ALDH1A1LMNAMEN1KMT2AMAPT |
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 5 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 |
| 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 |