Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.66 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.48 |
| ▸ | NAMPT | P43490 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | JAK3 | P52333 | 1/20 | 0.45 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.45 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | IGF1R | P08069 | 1/20 | 0.45 |
| ▸ | KCNA1 | Q09470 | 1/20 | 0.44 |
| ▸ | KCNAB1 | Q14722 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5600152 | 0.95 | NR1H2 (0.65) | ESR2NR1H2NPC1RAB9AGPR119 | |
| SCHEMBL7017461 | 0.93 | NPC1 (0.58) | ESR2NR1H2NPC1RAB9AGPR119 | |
| SCHEMBL18423515 | 0.90 | PTPN1 (0.55) | ESR2NR1H2NPC1RAB9AGPR119 | |
| SCHEMBL8149885 | 0.89 | NPC1 (0.58) | ESR2NR1H2NPC1RAB9AGPR119 | |
| SCHEMBL16645111 | 0.88 | ESR2 (0.60) | ESR2NR1H2NPC1RAB9APTPN1 | |
| SCHEMBL6393284 | 0.87 | PTPN1 (0.64) | ESR2NR1H2NPC1RAB9APTPN1 | |
| SCHEMBL16645174 | 0.87 | NAMPT (0.61) | ESR2NR1H2NPC1RAB9APTPN1 | |
| SCHEMBL29728602 | 0.87 | NAMPT (0.61) | ESR2NR1H2NPC1RAB9APTPN1 | |
| SCHEMBL16645110 | 0.85 | ESR2 (0.56) | ESR2NR1H2NPC1RAB9AGPR119 | |
| SCHEMBL29728634 | 0.85 | ESR2 (0.56) | ESR2NR1H2NPC1RAB9APTPN1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220125814-A1 | CANCER COMBINATION THERAPIES UTILIZING A NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITOR IN COMBINATION WITH A NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY PRECURSOR | FRED HUTCHINSON CANCER RESEARCH CENTER (US) | 2022-04-28 | — | — | US | disclosed |
| EP-3055304-A1 | NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS | Eli Lilly and Company (US) | 2016-08-17 | — | — | EP | disclosed |
| US-20160229835-A1 | NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS | ELI LILLY AND COMPANY | 2016-08-11 | — | — | US | disclosed |
| US-20160229835-A1 | NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS | ELI LILLY AND COMPANY | 2016-08-11 | — | — | US | disclosed |
| US-20160229835-A1 | NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS | ELI LILLY AND COMPANY | 2016-08-11 | — | — | US | disclosed |
| WO-2015197028-A1 | COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS AND USES THEREOF IN MEDICINE | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2015-12-30 | — | — | WO | disclosed |
| WO-2015054060-A1 | NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS | ELI LILLY AND COMPANY (US) | 2015-04-16 | — | — | WO | disclosed |
| WO-2015054060-A1 | NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS | ELI LILLY AND COMPANY (US) | 2015-04-16 | — | — | WO | disclosed |
| WO-2009001128-A1 | 1,2-CYCL0HEXANE DICARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |
| WO-2009001128-A1 | 1,2-CYCL0HEXANE DICARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | 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-20220125814-A1 | CANCER COMBINATION THERAPIES UTILIZING A NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITOR IN COMBINATION WITH A NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY PRECURSOR | NAMPT, NADK, NNT | ESR2 3548/4885NR1H2 3390/4885NPC1 1325/4885 |
| US-20160229835-A1 | NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS | NAMPT, NAPRT, NNMT | ESR2 4495/4885NR1H2 2307/4885NPC1 796/4885 |
“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.