Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.46 |
| ▸ | KCNJ1 | P48048 | 3/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9382983 | 0.96 | ACHE (0.52) | ACHEBCHEHSD17B10KCNH2KCNJ1 | |
| SCHEMBL4033629 | 0.91 | ACHE (0.55) | ACHEBCHEHSD17B10KCNH2KCNJ1 | |
| Alcohol SCHEMBL6170225 | 0.86 | ACHE (0.50) | ACHEBCHEHSD17B10KCNH2KCNJ1 | |
| SCHEMBL18934371 | 0.84 | ALDH1A1 (0.47) | KCNH2KMT2AMEN1ALDH1A1 | |
| SCHEMBL2567795 | 0.84 | ALDH1A1 (0.47) | KCNH2KMT2AMEN1ALDH1A1 | |
| SCHEMBL14339870 | 0.83 | CA2 (0.43) | KCNH2KMT2AMEN1ALDH1A1MAPT | |
| SCHEMBL8498573 | 0.83 | CA2 (0.51) | KCNH2KMT2AMEN1ALDH1A1TSHR | |
| SCHEMBL693396 | 0.83 | TSHR (0.51) | KCNH2KCNJ1TSHR | |
| SCHEMBL8499603 | 0.82 | CA2 (0.53) | ACHEHSD17B10KCNH2ALDH1A1TSHR | |
| SCHEMBL2310681 | 0.82 | FKBP1A (0.51) | ACHEBCHEKMT2AMEN1ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994014779-A1 | PYRIMIDINYL-PIPERAZINE DERIVATIVES AND THEIR USE AS MEDICAMENTS | SMITHKLINE BEECHAM PLC (GB) | 1994-07-07 | — | — | WO | disclosed |
| US-5310941-A | Antiarrythmia agents | ORTHO PHARMACEUTICAL CORPORATION (US) | 1994-05-10 | — | — | US | disclosed |
| US-5294621-A | Thieno tetrahydropyridines useful as class III antiarrhythmic agents | ORTHO PHARMACEUTICAL CORPORATION (US) | 1994-03-15 | — | — | US | disclosed |
| US-5208252-A | Antiarrhythmia | ORTHO PHARMACEUTICAL CORPORATION (US) | 1993-05-04 | — | — | US | disclosed |
| EP-0054756-B1 | ANTIBACTERIAL BENZYLPYRIMIDINES | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-07-23 | — | — | EP | disclosed |
| EP-0054756-A2 | Antibacterial benzylpyrimidines | THE WELLCOME FOUNDATION LIMITED (GB) | 1982-06-30 | — | — | EP | disclosed |