Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.31 |
| ▸ | SNCA | P37840 | 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 | |
|---|---|---|---|---|
| SCHEMBL9714736 | 0.75 | MAOA (0.42) | CYP3A4TDP1TSHRMRGPRX4 | |
| SCHEMBL9714810 | 0.75 | ENPP2 (0.42) | CYP3A4TDP1TSHRATMESR1 | |
| (Chloromethyl)Benzene SCHEMBL304085 | 0.71 | CYP3A4 (0.60) | CYP3A4TDP1TSHRESR1ESR2 | |
| Hydrochloric Acid SCHEMBL9714861 | 0.70 | SNCA (0.46) | APPATMPRSS1PRSS2PRSS3 | |
| SCHEMBL9714779 | 0.69 | CYP3A4 (0.33) | CYP3A4TDP1TSHR | |
| SCHEMBL9714816 | 0.69 | SLC6A2 (0.34) | CYP3A4TDP1TSHRATM | |
| SCHEMBL2647971 | 0.69 | CYP3A4 (0.43) | CYP3A4TDP1TSHR | |
| SCHEMBL330617 | 0.69 | ALDH1A1 (0.42) | TSHRPRSS1PRSS2PRSS3 | |
| SCHEMBL11849048 | 0.69 | KMO (0.50) | PRSS1PRSS2PRSS3 | |
| Benzyl Alcohol SCHEMBL29124859 | 0.69 | TSHR (0.54) | APPTDP1TSHRATMPRSS1 |
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 2 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 |