Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10729157 | 0.79 | ALDH1A1 (0.44) | PARP1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL6898137 | 0.79 | C1S (0.46) | PARP1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL6892243 | 0.79 | HTR3E (0.60) | PARP1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL11578705 | 0.79 | CES2 (0.45) | CES2HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL15229159 | 0.78 | PARP1 (0.42) | PARP1KCNN4CES2CES1HTR3E | |
| SCHEMBL11581937 | 0.78 | KCNN4 (0.39) | KCNN4CES2CES1NQO2KMT2A | |
| SCHEMBL3073692 | 0.77 | ALDH1A1 (0.45) | PARP1PKMMEN1KMT2AALDH1A1 | |
| SCHEMBL10939272 | 0.77 | CES2 (0.38) | KCNN4CES2CES1HTR3EHTR3B | |
| SCHEMBL8867309 | 0.77 | PARP1 (0.41) | PARP1KCNN4CES2CES1HTR3E | |
| SCHEMBL6486260 | 0.77 | PARP1 (0.50) | PARP1KCNN4CES2CES1HDAC1 |
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-4088785-A | HYPOTENSIVE AGENTS | WILLIAM H. RORER, INC. (US) | 1978-05-09 | — | — | US | disclosed |