Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL27910272 | 0.90 | GPBAR1 (0.65) | GPBAR1CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL5730122 | 0.86 | HPGD (0.58) | GPBAR1CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL13615398 | 0.85 | SMN1; SMN2 (0.64) | GPBAR1CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL13732600 | 0.85 | GPBAR1 (0.51) | GPBAR1CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL2777180 | 0.83 | PTGS2 (0.60) | GPBAR1CYP2C9CYP2C19ALDH1A1HPGD | |
| SCHEMBL4333884 | 0.83 | GPBAR1 (0.60) | GPBAR1ALDH1A1HPGDSMN1; SMN2TSHR | |
| SCHEMBL27913474 | 0.82 | HPGD (0.53) | GPBAR1CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL316093 | 0.81 | KMT2A (0.76) | GPBAR1ALDH1A1SMN1; SMN2TSHRLMNA | |
| SCHEMBL4594713 | 0.81 | GPBAR1 (0.62) | GPBAR1ALDH1A1SMN1; SMN2TSHRLMNA | |
| SCHEMBL1931107 | 0.81 | GPBAR1 (0.66) | GPBAR1ALDH1A1SMN1; SMN2TSHRLMNA |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103201268-B | As the novel piperazine analogue of wide spectrum influenza virus medicine | BRISTOL-MYERS SQUIBB CO. (US) | 2015-08-12 | — | — | CN | disclosed |
| CN-103209977-A | Novel piperazine analogs with substituted heteroaryl groups as broad-spectrum influenza antivirals | BRISTOL MYERS SQUIBB CO | 2013-07-17 | — | — | CN | disclosed |
| CN-103201268-A | Novel piperazine analogs as broad-spectrum influenza antivirals | BRISTOL MYERS SQUIBB CO | 2013-07-10 | — | — | CN | disclosed |
| US-7612069-B2 | Acyl guanidines as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-11-03 | — | — | US | disclosed |
| US-7612069-B2 | Acyl guanidines as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-11-03 | — | — | US | disclosed |
| US-7612069-B2 | Acyl guanidines as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-11-03 | — | — | US | disclosed |
| US-7273882-B2 | Aminoacetamide acyl guanidines as β-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-25 | — | — | US | disclosed |
| US-7273882-B2 | Aminoacetamide acyl guanidines as β-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-25 | — | — | US | disclosed |
| US-7273882-B2 | Aminoacetamide acyl guanidines as β-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-25 | — | — | US | disclosed |
| US-20070015754-A1 | Acyl guanidines as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-01-18 | — | — | US | disclosed |
| US-20070015754-A1 | Acyl guanidines as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-01-18 | — | — | US | disclosed |
| US-20070015754-A1 | Acyl guanidines as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-01-18 | — | — | US | disclosed |
| WO-2007002214-A2 | ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-04 | — | — | WO | disclosed |
| WO-2007002220-A2 | AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-04 | — | — | WO | disclosed |
| WO-2007002220-A2 | AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-04 | — | — | WO | disclosed |
| US-20060287287-A1 | Aminoacetamide acyl guanidines as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2006-12-21 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060287287-A1 | Aminoacetamide acyl guanidines as beta-secretase inhibitors | APP, BACE1, BACE2 | GPBAR1 828/4885CYP2C9 2623/4885CYP2C19 3866/4885 |
| US-20070015754-A1 | Acyl guanidines as beta-secretase inhibitors | BACE1, APP, BACE2 | GPBAR1 500/4885CYP2C9 2971/4885CYP2C19 3533/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.