Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6753195 | 0.86 | ENPP2 (0.53) | ENPP2MMP3TDP1MEN1KMT2A | |
| SCHEMBL9714604 | 0.85 | TDP1 (0.43) | ENPP2TDP1CYP3A4KMT2AKDM4E | |
| SCHEMBL9714736 | 0.81 | MAOA (0.42) | TDP1CYP3A4TSHRFFAR1CYP1A2 | |
| SCHEMBL9714742 | 0.80 | MAOB (0.37) | TDP1CYP3A4MEN1KMT2ATSHR | |
| Benzene SCHEMBL5438521 | 0.78 | ENPP2 (0.61) | ENPP2MMP3TDP1MEN1KMT2A | |
| SCHEMBL9714816 | 0.78 | SLC6A2 (0.34) | TDP1CYP3A4MEN1KMT2ATSHR | |
| SCHEMBL23591286 | 0.77 | TDP1 (0.50) | ENPP2MMP3TDP1CYP3A4KMT2A | |
| SCHEMBL9714706 | 0.77 | MAOA (0.34) | TDP1CYP3A4KDM4ETSHRMAOB | |
| (Chloromethyl)Benzene SCHEMBL304085 | 0.76 | CYP3A4 (0.60) | TDP1CYP3A4MEN1KMT2AKDM4E | |
| SCHEMBL237972 | 0.76 | ENPP2 (0.63) | ENPP2MMP3TDP1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5166210-A | QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1992-11-24 | — | — | US | disclosed |
| US-5028615-A | Treatment of hypersensitivity | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1991-07-02 | — | — | US | disclosed |
| US-4920133-A | Quinoline derivatives and use thereof as antagonists of leukotriene D4 | RORER PHARMACEUTICAL CORP. (US) | 1990-04-24 | — | — | US | disclosed |