Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 11/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 11/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 9/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 8/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 6/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL6447254 | 0.84 | CYP2C19 (0.61) | CYP2C19CYP2C9CYP1A2CYP3A4THPO | |
| SCHEMBL8305078 | 0.80 | FFAR1 (0.40) | CYP2C19CYP2C9CYP1A2CYP3A4FFAR1 | |
| SCHEMBL29144735 | 0.78 | FFAR1 (0.42) | CYP2C19CYP2C9CYP1A2CYP3A4FFAR1 | |
| SCHEMBL2466535 | 0.78 | FFAR1 (0.47) | CYP2C19CYP2C9CYP1A2CYP3A4FFAR1 | |
| SCHEMBL30468202 | 0.78 | FFAR1 (0.47) | CYP2C19CYP2C9CYP1A2CYP3A4FFAR1 | |
| SCHEMBL11174673 | 0.77 | FFAR1 (0.38) | CYP2C19CYP2C9CYP1A2CYP3A4FFAR1 | |
| SCHEMBL2929973 | 0.76 | CYP2C19 (0.56) | CYP2C19CYP2C9CYP1A2CYP3A4THPO | |
| SCHEMBL15353223 | 0.75 | TLR8 (0.45) | CYP2C19CYP2C9CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19302890 | 0.75 | ALDH1A1 (0.47) | CYP2C19CYP2C9CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23122854 | 0.74 | CYP2C19 (0.50) | CYP2C19CYP2C9CYP1A2CYP3A4THPO |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1740579-A1 | TRICYCLIC PYRAZOLE KINASE INHIBITORS | Abbott Laboratories (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005095387-A1 | TRICYCLIC PYRAZOLE KINASE INHIBITORS | ABBOTT LABORATORIES (US) | 2005-10-13 | — | — | WO | disclosed |
| EP-0810199-B1 | Method for producing propargylamine compounds | SUMITOMO CHEMICAL CO (JP) | 2002-09-25 | — | — | EP | disclosed |
| US-5756769-A | Method for producing propargylamine compounds | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 1998-05-26 | — | — | US | disclosed |
| EP-0810199-A1 | Method for producing propargylamine compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-12-03 | — | — | EP | disclosed |