Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9077953 | 0.92 | CNR2 (0.40) | CNR2LMNATP53RXFP1NR4A1 | |
| SCHEMBL9215183 | 0.81 | ALDH1A1 (0.46) | NR4A1NR4A2NR4A3POLBHSD17B10 | |
| SCHEMBL6323376 | 0.80 | NR4A1 (0.55) | CNR2LMNATP53RXFP1NR4A1 | |
| SCHEMBL28356334 | 0.78 | NR4A1 (0.60) | RXFP1NR4A1NR4A2NR4A3POLB | |
| SCHEMBL9217742 | 0.78 | NR4A1 (0.43) | RXFP1NR4A1NR4A2NR4A3POLB | |
| SCHEMBL345159 | 0.77 | PTPN1 (0.60) | LMNATP53RXFP1NR4A1NR4A2 | |
| SCHEMBL9080057 | 0.75 | ALDH1A1 (0.41) | NR4A1NR4A2NR4A3POLBHSD17B10 | |
| SCHEMBL9209445 | 0.74 | HTT (0.44) | NR4A1NR4A2NR4A3HSD17B10GRIN2D | |
| SCHEMBL9220592 | 0.74 | ALDH1A1 (0.48) | TP53POLBPTPN1ALDH1A1 | |
| SCHEMBL6829025 | 0.73 | NR4A1 (0.53) | LMNARXFP1NR4A1NR4A2NR4A3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995000490-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-01-05 | — | — | WO | disclosed |