Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.34 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.34 |
| ▸ | ITGAL | P20701 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20323366 | 0.85 | ABCG2 (0.32) | ABCG2ITGB2ICAM1ITGALAKR1B1 | |
| SCHEMBL15107404 | 0.85 | ABCG2 (0.32) | ABCG2ITGB2ICAM1ITGALAKR1B1 | |
| SCHEMBL6124180 | 0.81 | ITGB2 (0.41) | ITGB2ICAM1ITGALSIGMAR1 | |
| SCHEMBL12234896 | 0.76 | HTR2B (0.38) | AKR1B1SIGMAR1BRD4CREBBP | |
| SCHEMBL14436805 | 0.74 | CHRNA7 (0.40) | AKR1B1CHRM2CHRM1CHRM3SIGMAR1 | |
| SCHEMBL12234869 | 0.74 | AKR1B1 (0.39) | AKR1B1CHRM2CHRM1CHRM3 | |
| SCHEMBL321566 | 0.72 | NOTUM (0.42) | ABCG2ITGB2ICAM1ITGAL | |
| SCHEMBL9833025 | 0.72 | ABCG2 (0.42) | ABCG2ITGB2ICAM1ITGAL | |
| SCHEMBL29447257 | 0.72 | ABCG2 (0.42) | ABCG2ITGB2ICAM1ITGAL | |
| SCHEMBL29447261 | 0.72 | ABCG2 (0.42) | ABCG2ITGB2ICAM1ITGAL |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120107328-A1 | GAMMA SECRETASE MODULATORS | MERCK SHARP & DOHME CORP. | 2012-05-03 | — | — | US | disclosed |
| US-7393858-B2 | Tetrahydropyran compounds as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 2008-07-01 | — | — | US | disclosed |
| US-7265110-B2 | Tetrahydropyran derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LIMITED (GB) | 2007-09-04 | — | — | US | disclosed |
| US-7265110-B2 | Tetrahydropyran derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LIMITED (GB) | 2007-09-04 | — | — | US | disclosed |
| US-7253205-B2 | Gem-disubstituted cyclohexane derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LIMITED (GB) | 2007-08-07 | — | — | 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 (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-20120107328-A1 | GAMMA SECRETASE MODULATORS | BACE1, BACE2, PSEN1 | ABCG2 4544/4885ITGB2 2250/4885ICAM1 3308/4885 |
“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.