Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 3/20 | 0.44 |
| ▸ | BCL2A1 | Q16548 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.43 |
| ▸ | HTR3B | O95264 | 2/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.39 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL8105221 | 0.84 | HTR3A (0.51) | ALDH1A1LMNABIRC2HTR3AHTR1A | |
| SCHEMBL2249055 | 0.83 | BIRC2 (0.46) | ALDH1A1LMNABIRC2HTR3AHTR1A | |
| SCHEMBL6023527 | 0.83 | BIRC2 (0.46) | ALDH1A1LMNABIRC2HTR3AHTR1A | |
| SCHEMBL4573059 | 0.82 | HTR3A (0.48) | ALDH1A1LMNABIRC2HTR3AHTR1A | |
| SCHEMBL2866470 | 0.81 | HTR3A (0.65) | HTR3AHTR1AHTR3EHTR3BHTR3D | |
| SCHEMBL12182691 | 0.81 | HTR3E (0.47) | ALDH1A1LMNABIRC2HTR3AHTR1A | |
| SCHEMBL12182647 | 0.81 | HTR3E (0.47) | ALDH1A1LMNABIRC2HTR3AHTR1A | |
| Hydrochloric Acid SCHEMBL2876565 | 0.80 | HTR3A (0.64) | LMNAHTR3AHTR1AHTR3EHTR3B | |
| SCHEMBL2875332 | 0.79 | ALDH1A1 (0.54) | ALDH1A1LMNAHTR3ABCL2A1HTR3E | |
| SCHEMBL2875334 | 0.79 | ALDH1A1 (0.54) | ALDH1A1LMNAHTR3ABCL2A1HTR3E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009001127-A1 | CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |