Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 3/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.44 |
| ▸ | TMPRSS2 | O15393 | 3/20 | 0.44 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | IGF1R | P08069 | 1/20 | 0.42 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16645220 | 0.90 | ESR2 (0.61) | ESR2NR1H2NPC1RAB9AKDM4E | |
| SCHEMBL16645222 | 0.89 | ESR2 (0.62) | ESR2NR1H2NPC1RAB9AKDM4E | |
| SCHEMBL17969236 | 0.88 | TMPRSS2 (0.49) | ESR2NPC1RAB9AKDM4ETMPRSS2 | |
| SCHEMBL16645223 | 0.87 | ESR2 (0.57) | ESR2NR1H2NPC1RAB9AKDM4E | |
| SCHEMBL29728578 | 0.87 | ESR2 (0.57) | ESR2NR1H2NPC1RAB9AKDM4E | |
| SCHEMBL3729030 | 0.84 | ESR2 (0.62) | ESR2NR1H2NPC1RAB9AKDM4E | |
| SCHEMBL20704305 | 0.83 | ESR2 (0.63) | ESR2NR1H2NPC1RAB9APIK3CA | |
| SCHEMBL31174284 | 0.82 | ESR2 (0.67) | ESR2NR1H2NPC1RAB9AKDM4E | |
| SCHEMBL31174286 | 0.82 | ESR2 (0.67) | ESR2NR1H2NPC1RAB9AKDM4E | |
| SCHEMBL1187860 | 0.80 | ESR2 (0.62) | ESR2NR1H2NPC1RAB9APIK3CA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020191359-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) | 2020-09-24 | — | — | WO | 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-2015054060-A1 | NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS | ELI LILLY AND COMPANY (US) | 2015-04-16 | — | — | 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 (1 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-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.