Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL114600 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL5013106 | 0.83 | POLB (0.56) | POLBHPGDALDH1A1MAPK8NPC1 | |
| SCHEMBL4775990 | 0.71 | POLB (0.55) | POLBHPGDALDH1A1MAPK8NPC1 | |
| Aminomethylamide SCHEMBL9327535 | 0.70 | POLB (0.50) | POLBHPGDALDH1A1MAPK8NPC1 | |
| SCHEMBL7353467 | 0.69 | HPGD (0.60) | POLBHPGDALDH1A1MAPK8MEN1 | |
| SCHEMBL6668155 | 0.68 | POLB (0.51) | POLBHPGDALDH1A1MAPK8NPC1 | |
| SCHEMBL3757996 | 0.68 | — | — | |
| SCHEMBL621289 | 0.68 | — | — | |
| SCHEMBL4775992 | 0.67 | HPGD (0.53) | POLBHPGDALDH1A1MAPK8NPC1 | |
| SCHEMBL1477454 | 0.67 | POLB (0.62) | POLBHPGDALDH1A1MAPK8NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0359311-A2 | Butynylamine derivatives | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1990-03-21 | — | — | EP | disclosed |