Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 5/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 2/20 | 0.31 |
| ▸ | CTSS | P25774 | 2/20 | 0.31 |
| ▸ | CTSV | O60911 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL9714488 | 0.87 | CYP3A4 (0.36) | SLC6A2TAAR1SLC6A4MAOASLC6A3 | |
| SCHEMBL9714646 | 0.86 | MEN1 (0.35) | CYP3A4TDP1TSHRATMMEN1 | |
| SCHEMBL9714785 | 0.84 | CTSB (0.35) | CYP3A4TDP1CTSBTSHRATM | |
| SCHEMBL9714665 | 0.82 | SGMS2 (0.39) | SLC6A2SLC6A3MAOBCYP3A4TDP1 | |
| SCHEMBL9714823 | 0.81 | MAOA (0.35) | SLC6A4MAOAMAOB | |
| SCHEMBL9714779 | 0.81 | CYP3A4 (0.33) | SLC6A2TAAR1SLC6A4MAOASLC6A3 | |
| SCHEMBL9714680 | 0.80 | MAOB (0.32) | MAOB | |
| SCHEMBL9714712 | 0.79 | TSHR (0.36) | SLC6A2SLC6A3SIGMAR1MAOBCYP3A4 | |
| SCHEMBL9714810 | 0.78 | ENPP2 (0.42) | MAOBCYP3A4TDP1TSHRATM | |
| SCHEMBL9714829 | 0.76 | CYP3A4 (0.34) | CYP3A4TDP1TSHRMEN1KMT2A |
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 |