Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | GRM5 | P41594 | 3/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | VCP | P55072 | 1/20 | 0.47 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8198166 | 0.85 | FFAR1 (0.54) | FFAR1CA12CA1CA2CA9 | |
| SCHEMBL7884371 | 0.85 | FFAR1 (0.57) | FFAR1CA12CA1CA2CA9 | |
| SCHEMBL853918 | 0.84 | FFAR1 (0.51) | FFAR1CA12CA1CA2CA9 | |
| SCHEMBL13191888 | 0.82 | ALDH1A1 (0.42) | MEN1NPC1POLBRAB9AKMT2A | |
| SCHEMBL18792760 | 0.82 | FFAR1 (0.55) | FFAR1CA12CA1CA2CA9 | |
| SCHEMBL12392617 | 0.81 | FFAR1 (0.50) | FFAR1CA12CA1CA2CA9 | |
| SCHEMBL481016 | 0.80 | NPC1 (0.40) | MAOBGRM5VCPMEN1NPC1 | |
| SCHEMBL11544870 | 0.80 | GRM5 (0.48) | GRM5HAO1MEN1KMT2APTGES | |
| SCHEMBL1751529 | 0.80 | GFER (0.50) | CA12CA1CA2CA9GRM5 | |
| SCHEMBL6132140 | 0.80 | GRM5 (0.66) | FFAR1CA12CA1CA2CA9 |
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 14 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 |
| US-8735630-B2 | Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2014-05-27 | — | — | US | 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 |
| US-20130178632-A1 | Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2013-07-11 | — | — | US | disclosed |
| CN-103201268-A | Novel piperazine analogs as broad-spectrum influenza antivirals | BRISTOL MYERS SQUIBB CO | 2013-07-10 | — | — | CN | disclosed |
| US-8378145-B2 | Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2013-02-19 | — | — | US | disclosed |
| US-20090287016-A1 | Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2009-11-19 | — | — | US | disclosed |
| US-7612069-B2 | Acyl guanidines as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-11-03 | — | — | US | disclosed |
| US-7560596-B2 | Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2009-07-14 | — | — | 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 |
| 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 |
| US-20060173186-A1 | Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2006-08-03 | — | — | 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 (4 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-20090287016-A1 | Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions | NBAS, APEX1, CBR3 | FFAR1 4192/4885CA12 140/4885CA1 200/4885 |
| US-20060173186-A1 | Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions | NBAS, APEX1, CBR3 | FFAR1 4192/4885CA12 140/4885CA1 200/4885 |
| US-20130178632-A1 | Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions | NBAS, APEX1, CBR3 | FFAR1 4192/4885CA12 140/4885CA1 200/4885 |
| US-20070015754-A1 | Acyl guanidines as beta-secretase inhibitors | BACE1, APP, BACE2 | FFAR1 1628/4885CA12 4694/4885CA1 1813/4885 |
“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.