Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29541540 | 0.87 | HTR3E (0.53) | TDP1MAPK1HTR3EHTR3BHTR3A | |
| SCHEMBL23447 | 0.87 | HTR3E (0.53) | TDP1MAPK1HTR3EHTR3BHTR3A | |
| SCHEMBL58874 | 0.80 | MAPK1 (1.00) | TDP1MAPK1HTR3EHTR3BHTR3A | |
| SCHEMBL29376406 | 0.80 | MAPK1 (1.00) | TDP1MAPK1HTR3EHTR3BHTR3A | |
| SCHEMBL8594415 | 0.80 | TDP1 (0.76) | TDP1MAPK1HTR3EHTR3BHTR3A | |
| Dimethylamine SCHEMBL11830270 | 0.77 | MAPK1 (0.85) | TDP1MAPK1HTR3EHTR3BHTR3A | |
| SCHEMBL8943270 | 0.77 | CYP3A4 (0.50) | TDP1MAPK1HTR3EHTR3BHTR3A | |
| O-Xylene SCHEMBL27865799 | 0.76 | MAPK1 (0.76) | TDP1MAPK1HTR3EHTR3BHTR3A | |
| SCHEMBL8942897 | 0.76 | TDP1 (0.76) | TDP1MAPK1HTR3EHTR3BHTR3A | |
| SCHEMBL7981297 | 0.76 | MAPK1 (0.88) | TDP1MAPK1HTR3EHTR3BHTR3A |
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-0973936-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998046786-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |