Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.50 |
| ▸ | HTR2A | P28223 | 3/20 | 0.50 |
| ▸ | HTR7 | P34969 | 2/20 | 0.50 |
| ▸ | HTR6 | P50406 | 2/20 | 0.50 |
| ▸ | HRH1 | P35367 | 3/20 | 0.49 |
| ▸ | DRD1 | P21728 | 2/20 | 0.49 |
| ▸ | DRD4 | P21917 | 2/20 | 0.49 |
| ▸ | DRD5 | P21918 | 2/20 | 0.49 |
| ▸ | DRD3 | P35462 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5747367 | 0.99 | TDP1 (0.56) | TDP1CYP2D6CYP2C19CYP1A2HSD17B10 | |
| SCHEMBL5748094 | 0.91 | CYP2D6 (0.55) | TDP1CYP2D6CYP2C19CYP1A2HRH3 | |
| SCHEMBL11382220 | 0.90 | TDP1 (0.52) | TDP1CYP2D6CYP2C19CYP1A2HSD17B10 | |
| SCHEMBL11376119 | 0.89 | TDP1 (0.51) | TDP1CYP2D6CYP2C19CYP1A2HSD17B10 | |
| SCHEMBL5748798 | 0.80 | HTR1B (0.53) | TSHRHTR6 | |
| SCHEMBL5747101 | 0.80 | TDP1 (0.52) | TDP1CYP2D6CYP2C19CYP1A2HSD17B10 | |
| SCHEMBL5747516 | 0.79 | HTR1B (0.54) | — | |
| SCHEMBL5749161 | 0.79 | TDP1 (0.51) | TDP1CYP2D6CYP2C19CYP1A2HSD17B10 | |
| SCHEMBL15466278 | 0.78 | ALKBH5 (0.54) | HSD17B10POLBALDH1A1L3MBTL1 | |
| SCHEMBL5749824 | 0.78 | HTR1B (0.57) | TDP1HTR6HRH1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1711463-A2 | AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE | ABBOTT LABORATORIES (US) | 2006-10-18 | — | — | EP | disclosed |
| WO-2005077899-A2 | AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE | ABBOTT LABORATORIES (US) | 2005-08-25 | — | — | WO | disclosed |