Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.44 |
| ▸ | METAP2 | P50579 | 2/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.44 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1170673 | 0.83 | PDPK1 (0.51) | NOS1METAP2CSNK2A1PABPC1AHR | |
| SCHEMBL214526 | 0.79 | ALDH1A1 (0.53) | NOS1METAP2CSNK2A1PABPC1AHR | |
| SCHEMBL3836448 | 0.79 | NOS1 (0.41) | NOS1METAP2CSNK2A1PABPC1AHR | |
| SCHEMBL4383173 | 0.79 | NOS1 (0.41) | NOS1METAP2CSNK2A1PABPC1AHR | |
| SCHEMBL8982 | 0.79 | TYMS (0.49) | NOS1METAP2CSNK2A1PABPC1AHR | |
| SCHEMBL8873633 | 0.79 | NOS1 (0.41) | NOS1METAP2CSNK2A1PABPC1AHR | |
| SCHEMBL1192650 | 0.79 | NOS1 (0.41) | NOS1METAP2CSNK2A1PABPC1AHR | |
| SCHEMBL29824694 | 0.79 | ALPL (0.40) | METAP2AHRALDH1A1PDPK1CYP1A2 | |
| SCHEMBL9305161 | 0.79 | KMT2A (0.44) | METAP2ALDH1A1CYP1A2CYP2C19HTT | |
| SCHEMBL9305046 | 0.79 | F7 (0.44) | NOS1AHRNR4A2ALDH1A1BACE1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220384735-A1 | PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2022-12-01 | — | — | US | disclosed |
| WO-2021053046-A1 | PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2021-03-25 | — | — | WO | disclosed |
| US-7524862-B2 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-28 | — | — | US | disclosed |
| EP-1737839-A1 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-01-03 | — | — | EP | disclosed |
| US-20050267115-A1 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-12-01 | — | — | US | disclosed |
| WO-2005103029-A1 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | 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-20050267115-A1 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | MCHR1, GPR119, MCHR2 | NOS1 1921/4885METAP2 1322/4885CSNK2A1 792/4885 |
| US-20220384735-A1 | PERI-CONDENSED HETEROCYCLIC COMPOUNDS AS MATERIALS FOR ELECTRONIC DEVICES | KCNH1, NES, KCNC1 | NOS1 1743/4885METAP2 3694/4885CSNK2A1 2947/4885 |
“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.