Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 11/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | S100A4 | P26447 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | C1R | P00736 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL13297919 | 0.81 | TYMS (0.47) | TYMSALDH1A1KMT2AS100A4MAOB | |
| SCHEMBL8550500 | 0.81 | ALDH1A1 (0.47) | TYMSALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL1892650 | 0.79 | MEN1 (0.65) | TYMSALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL30582767 | 0.79 | MEN1 (0.65) | TYMSALDH1A1TDP1MEN1KMT2A | |
| 1,8-Naphthalic Anhydride SCHEMBL27922347 | 0.79 | TYMS (0.66) | TYMSALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL4084412 | 0.78 | TYMS (0.44) | TYMSALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL29665023 | 0.78 | TYMS (0.44) | TYMSALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL7709612 | 0.78 | TYMS (0.51) | TYMSALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL29099269 | 0.78 | TYMS (0.50) | TYMSALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL8133813 | 0.77 | ALDH1A1 (0.53) | TYMSALDH1A1TDP1MEN1KMT2A |
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 |
| 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 |
| WO-1995000490-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-01-05 | — | — | WO | disclosed |