Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | NOS2 | P35228 | 8/20 | 0.57 |
| ▸ | NOS3 | P29474 | 7/20 | 0.57 |
| ▸ | NOS1 | P29475 | 7/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.52 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7422933 | 1.00 | TDP1 (0.60) | TDP1NOS2NOS3NOS1ALDH1A1 | |
| SCHEMBL27391709 | 0.90 | TDP1 (0.58) | TDP1NOS2NOS3NOS1ALDH1A1 | |
| SCHEMBL27391707 | 0.90 | TDP1 (0.58) | TDP1NOS2NOS3NOS1ALDH1A1 | |
| SCHEMBL31389136 | 0.87 | TDP1 (0.56) | TDP1NOS2NOS3NOS1ALDH1A1 | |
| SCHEMBL10459919 | 0.87 | NOS2 (0.48) | TDP1NOS2NOS3NOS1ALDH1A1 | |
| SCHEMBL7425727 | 0.86 | TDP1 (0.65) | TDP1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7425739 | 0.86 | TDP1 (0.65) | TDP1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10807729 | 0.83 | TDP1 (0.57) | TDP1NOS2NOS3NOS1ALDH1A1 | |
| SCHEMBL10807719 | 0.83 | TDP1 (0.57) | TDP1NOS2NOS3NOS1ALDH1A1 | |
| SCHEMBL31414519 | 0.81 | TTR (0.57) | NOS2NOS3NOS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1152910-A | Difluorostatone antiviral agents | MERRELL PHARMA INC (US) | 1997-06-25 | — | — | CN | disclosed |
| EP-0773926-A1 | DIFLUOROSTATONE ANTIVIRAL AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1997-05-21 | — | — | EP | disclosed |
| WO-1996002499-A1 | DIFLUOROSTATONE ANTIVIRAL AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1996-02-01 | — | — | WO | disclosed |