Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 7/20 | 0.37 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL58303 | 0.87 | MAPK1 (0.61) | MAPK1TDP1HTR3EHTR3BHTR3A | |
| SCHEMBL29397209 | 0.87 | MAPK1 (0.61) | MAPK1TDP1HTR3EHTR3BHTR3A | |
| SCHEMBL162277 | 0.87 | RAB9A (0.40) | MAPK1TDP1TRPA1CYP3A4KMT2A | |
| SCHEMBL29648862 | 0.87 | RAB9A (0.40) | MAPK1TDP1TRPA1CYP3A4KMT2A | |
| SCHEMBL3104369 | 0.85 | CYP3A4 (0.50) | MAPK1TDP1HTR3EHTR3BHTR3A | |
| SCHEMBL28113837 | 0.81 | HTR3E (0.39) | MAPK1TDP1HTR3EHTR3BHTR3A | |
| Tetrahydrofuran SCHEMBL28279164 | 0.77 | MAPK1 (0.49) | MAPK1TDP1HTR3EHTR3BHTR3A | |
| SCHEMBL13219987 | 0.76 | CYP3A4 (0.40) | MAPK1TDP1HTR3EHTR3BHTR3A | |
| SCHEMBL7525499 | 0.76 | ALDH1A1 (0.54) | TDP1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL856525 | 0.75 | MAPK1 (0.61) | MAPK1TDP1HTR3EHTR3BHTR3A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998057173-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PHENYLALANINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-12-17 | — | — | WO | disclosed |
| EP-0880558-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-12-02 | — | — | EP | disclosed |
| WO-1998008839-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |
| WO-1997026300-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES | ELI LILLY AND COMPANY (US) | 1997-07-24 | — | — | WO | disclosed |