Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.59 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.59 |
| ▸ | HTR2A | P28223 | 2/20 | 0.59 |
| ▸ | HTR7 | P34969 | 2/20 | 0.59 |
| ▸ | HTR6 | P50406 | 2/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | NMT2 | O60551 | 1/20 | 0.56 |
| ▸ | NMT1 | P30419 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 4/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HRH1 | P35367 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5749264 | 0.99 | TDP1 (0.59) | XDHHRH3HTR2AHTR7HTR6 | |
| SCHEMBL5744863 | 0.96 | TDP1 (0.56) | XDHHRH3HTR2AHTR7HTR6 | |
| SCHEMBL5748468 | 0.93 | TSHR (0.56) | XDHHRH3HTR2AHTR7HTR6 | |
| SCHEMBL5747870 | 0.92 | TDP1 (0.55) | XDHHRH3HTR2AHTR7HTR6 | |
| SCHEMBL28675845 | 0.89 | XDH (0.66) | XDHHRH3HTR2AHTR7HTR6 | |
| SCHEMBL5748784 | 0.84 | XDH (0.58) | XDHHRH3HTR2AHTR7HTR6 | |
| SCHEMBL5748656 | 0.82 | XDH (0.58) | XDHHRH3TDP1MAOBBCHE | |
| SCHEMBL5747713 | 0.80 | XDH (0.55) | XDHHRH3TDP1MAOBBCHE | |
| SCHEMBL14970546 | 0.79 | HRH3 (0.89) | HRH3HTR2AHTR7HTR6TDP1 | |
| SCHEMBL10431487 | 0.77 | ADRB2 (0.48) | ALDH1A1SMN1; SMN2HRH1 |
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 |