Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.69 |
| ▸ | TSHR | P16473 | 1/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.69 |
| ▸ | HTR3A | P46098 | 10/20 | 0.67 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.67 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.67 |
| ▸ | HTR3B | O95264 | 1/20 | 0.67 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.67 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.67 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.67 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.67 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.67 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8321339 | 1.00 | ALDH1A1 (0.69) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 | |
| SCHEMBL8322383 | 1.00 | ALDH1A1 (0.69) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 | |
| SCHEMBL8318653 | 0.97 | ALDH1A1 (0.66) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 | |
| SCHEMBL8320472 | 0.87 | ALDH1A1 (0.66) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 | |
| SCHEMBL8323114 | 0.87 | ALDH1A1 (0.66) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 | |
| SCHEMBL8320481 | 0.87 | ALDH1A1 (0.66) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 | |
| SCHEMBL8320476 | 0.87 | ALDH1A1 (0.66) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 | |
| SCHEMBL9680622 | 0.83 | ALDH1A1 (0.76) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 | |
| SCHEMBL9680628 | 0.83 | ALDH1A1 (0.76) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 | |
| SCHEMBL9485783 | 0.82 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TSHRMAPK1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5955470-A | Derivatives of amide analogs of certain methano bridged quinolizines | MERRELL PHARMACEUTICALS, INC. (US) | 1999-09-21 | — | — | US | claimed |
| EP-0518767-A2 | Derivatives of amide analogs of certain methano bridged quinolizines | MERRELL PHARMACEUTICALS INC. (US) | 1992-12-16 | — | — | EP | claimed |