Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23591286 | 0.89 | TDP1 (0.50) | TDP1CYP3A4KMT2AESR1ESR2 | |
| SCHEMBL9714810 | 0.85 | ENPP2 (0.42) | TDP1CYP3A4KMT2AESR1ESR2 | |
| SCHEMBL22871613 | 0.82 | CYP3A4 (0.57) | TDP1CYP3A4KMT2AESR1ESR2 | |
| SCHEMBL2939551 | 0.82 | CA1 (0.41) | TDP1KMT2ACA1CA2NPC1 | |
| SCHEMBL9714610 | 0.82 | MAOB (0.46) | TDP1CYP3A4KMT2ACA2NPC1 | |
| Hydrochloric Acid SCHEMBL5143704 | 0.81 | CYP3A4 (0.55) | TDP1CYP3A4KMT2AESR1ESR2 | |
| (Chloromethyl)Benzene SCHEMBL304085 | 0.80 | CYP3A4 (0.60) | TDP1CYP3A4KMT2AESR1ESR2 | |
| SCHEMBL5115366 | 0.78 | TDP1 (0.57) | TDP1CYP3A4KMT2AESR1ESR2 | |
| SCHEMBL6201046 | 0.77 | TDP1 (0.50) | TDP1CYP3A4ESR1ESR2CA1 | |
| SCHEMBL5076043 | 0.77 | TDP1 (0.55) | TDP1CYP3A4KMT2AESR1ESR2 |
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 |