Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | NEU3 | Q9UQ49 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2433377 | 0.85 | ALDH1A1 (0.45) | HCAR3TDP1MYCALDH1A1LCK | |
| SCHEMBL31535248 | 0.78 | MYC (0.39) | MYC | |
| SCHEMBL31535400 | 0.74 | MYC (0.37) | MYCALDH1A1MAPTNPSR1 | |
| SCHEMBL31535293 | 0.74 | SCN9A (0.39) | MYCALDH1A1LCKJAK3MAPT | |
| SCHEMBL20587133 | 0.72 | ALDH1A1 (0.42) | HCAR3TDP1ALDH1A1 | |
| SCHEMBL31535307 | 0.70 | CA12 (0.43) | ALDH1A1GAAMAPTNPSR1CA12 | |
| SCHEMBL31535243 | 0.69 | ALDH1A1 (0.40) | TDP1MYCALDH1A1KDM4EGAA | |
| SCHEMBL642243 | 0.69 | HCAR3 (0.53) | HCAR3TDP1MYCALDH1A1KDM4E | |
| SCHEMBL194970 | 0.68 | ALDH1A1 (0.46) | TDP1ALDH1A1KDM4EPOLBGAA | |
| SCHEMBL3973851 | 0.68 | OPRD1 (0.39) | HCAR3TDP1ALDH1A1KDM4ENEU3 |
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-2074120-A1 | TROPANE COMPOUNDS | Exelixis, Inc. (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2009055077-A1 | TROPANE COMPOUNDS | EXELIXIS, INC. (US) | 2009-04-30 | — | — | WO | disclosed |