Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR1E | P28566 | 1/20 | 0.33 |
| ▸ | HTR1F | P30939 | 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 | |
|---|---|---|---|---|
| SCHEMBL14841959 | 0.68 | ALDH1A1 (0.47) | CA2DCUN1D1CYP3A4AKR1B1MEN1 | |
| SCHEMBL3532098 | 0.68 | CHEK1 (0.50) | CA2AKR1B1MAPK10RIPK1MEN1 | |
| SCHEMBL29755838 | 0.68 | GPR84 (0.47) | CA2NPSR1MEN1NPC1KMT2A | |
| SCHEMBL612104 | 0.68 | GPR84 (0.47) | CA2NPSR1MEN1NPC1KMT2A | |
| SCHEMBL30467200 | 0.67 | CA2 (0.40) | CA2DCUN1D1CYP3A4MEN1NPC1 | |
| SCHEMBL7493903 | 0.67 | CA2 (0.53) | CA2TSHRAKR1B1MEN1KMT2A | |
| SCHEMBL8930679 | 0.66 | ABCG2 (0.53) | CYP3A4MEN1NPC1KMT2AHTR3E | |
| SCHEMBL4038292 | 0.65 | PDE10A (0.33) | CA2CYP3A4TSHRMAPK10RIPK1 | |
| SCHEMBL8980508 | 0.64 | AKR1B1 (0.51) | CA2AKR1B1MEN1KMT2AALDH1A1 | |
| SCHEMBL9739366 | 0.64 | NQO2 (0.37) | CYP3A4TSHRNPSR1MEN1NPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5175157-A | Cardiovascular disorders | BOEHRINGER INGELHEIM GMBH (DE) | 1992-12-29 | — | — | US | disclosed |