Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NT5E | P21589 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL23260541 | 0.85 | PARP1 (0.47) | PARP1HDAC8HDAC6SMN1; SMN2ACHE | |
| SCHEMBL17034487 | 0.79 | PARP1 (0.42) | PARP1HDAC8HDAC6SMN1; SMN2ACHE | |
| SCHEMBL20037381 | 0.79 | HDAC8 (0.43) | PARP1HDAC8HDAC6SMN1; SMN2ACHE | |
| SCHEMBL18962611 | 0.78 | PARP1 (0.48) | PARP1SMN1; SMN2HTR3EHTR3BHTR3A | |
| SCHEMBL18962686 | 0.78 | PARP1 (0.48) | PARP1HDAC6SMN1; SMN2KCNK3MEN1 | |
| SCHEMBL17468521 | 0.77 | PARP1 (0.41) | PARP1HDAC8HDAC6SMN1; SMN2ACHE | |
| SCHEMBL25721432 | 0.77 | PRSS1 (0.57) | PARP1SMN1; SMN2HTR3EHTR3BHTR3A | |
| SCHEMBL14538523 | 0.76 | ALDH1A1 (0.40) | HDAC6SMN1; SMN2ACHEHTR3EHTR3B | |
| SCHEMBL19250178 | 0.76 | PARP1 (0.43) | PARP1HDAC8HDAC6SMN1; SMN2KCNK3 | |
| SCHEMBL15850351 | 0.76 | F2 (0.42) | PARP1KMT2ATDP1POLBPKM |
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-3720858-B1 | MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO | ARENA PHARM INC (US) | 2023-06-07 | — | — | EP | disclosed |
| WO-2022261069-A1 | METHODS AND TREATMENT OF VIRAL INFECTION WITH SUBSTITUTED PYRAZOLO-PYRIMIDINES | Verge Analytics, Inc. (US) | 2022-12-15 | — | — | WO | disclosed |