Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.53 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.53 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.53 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.53 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CPS1 | P31327 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.31 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.31 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23135935 | 0.84 | CHRNB2 (0.55) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL14165101 | 0.84 | CHRNB2 (0.55) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL21892132 | 0.84 | CHRNB2 (0.55) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL23187989 | 0.83 | CHRNB2 (0.46) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL21846683 | 0.81 | CHRNB2 (0.52) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL10139548 | 0.79 | CHRNB2 (0.59) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL13733942 | 0.79 | CHRNB2 (0.43) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL14616989 | 0.79 | PHGDH (0.44) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL13819922 | 0.79 | PHGDH (0.44) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL13819923 | 0.79 | PHGDH (0.44) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4561451-A | 1,4-Diacylpiperazine flavored smoking compositions | PHILIP MORRIS INCORPORATED (US) | 1985-12-31 | — | — | US | claimed |
| EP-0116640-A4 | 1,4-DIACYLPIPERAZINE FLAVORED SMOKING COMPOSITIONS. | PHILIP MORRIS INC (US) | 1984-12-11 | — | — | EP | claimed |
| EP-0116640-A1 | 1,4-DIACYLPIPERAZINE FLAVORED SMOKING COMPOSITIONS | PHILIP MORRIS INCORPORATED (US) | 1984-08-29 | — | — | EP | claimed |
| WO-1984000672-A1 | 1,4-DIACYLPIPERAZINE FLAVORED SMOKING COMPOSITIONS | PHILIP MORRIS INC (US) | 1984-03-01 | — | — | WO | claimed |
| US-4561451-A | 1,4-Diacylpiperazine flavored smoking compositions | PHILIP MORRIS INCORPORATED (US) | 1985-12-31 | — | — | US | disclosed |
| EP-0116640-A4 | 1,4-DIACYLPIPERAZINE FLAVORED SMOKING COMPOSITIONS. | PHILIP MORRIS INC (US) | 1984-12-11 | — | — | EP | disclosed |
| EP-0116640-A1 | 1,4-DIACYLPIPERAZINE FLAVORED SMOKING COMPOSITIONS | PHILIP MORRIS INCORPORATED (US) | 1984-08-29 | — | — | EP | disclosed |
| WO-1984000672-A1 | 1,4-DIACYLPIPERAZINE FLAVORED SMOKING COMPOSITIONS | PHILIP MORRIS INC (US) | 1984-03-01 | — | — | WO | disclosed |