Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 10/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9214353 | 0.90 | ALDH1A1 (0.41) | TYMSALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL9219065 | 0.81 | MAPT (0.48) | TYMSALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL9078930 | 0.79 | CCR1 (0.45) | TYMSMEN1KMT2AMAPTKDM4E | |
| SCHEMBL9077614 | 0.78 | ALDH1A1 (0.54) | TYMSALDH1A1TSHR | |
| SCHEMBL9077278 | 0.77 | ALDH1A1 (0.40) | TYMSALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL9079255 | 0.75 | TYMS (0.47) | TYMSALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL9038703 | 0.74 | ALDH1A1 (0.51) | ALDH1A1MEN1KMT2ATSHRTDP1 | |
| SCHEMBL9078696 | 0.74 | TYMS (0.51) | TYMSALDH1A1TSHRTDP1MAPT | |
| SCHEMBL9208484 | 0.74 | ALDH1A1 (0.41) | TYMSALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL9209268 | 0.74 | FTO (0.48) | ALDH1A1MEN1KMT2ATDP1MAPT |
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 |