Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 7/20 | 0.59 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CHRNG | P07510 | 1/20 | 0.33 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17950210 | 0.87 | ADRA1A (0.52) | ADRA1ANISCHADRA2AADRA1DADRA1B | |
| SCHEMBL21573835 | 0.87 | ADRA1A (0.52) | ADRA1ANISCHADRA2AADRA1DADRA1B | |
| SCHEMBL196337 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL17941980 | 0.85 | ADRA1A (0.50) | ADRA1ANISCHADRA2AADRA1DADRA1B | |
| Hydrochloric Acid SCHEMBL17941981 | 0.85 | ADRA1A (0.50) | ADRA1ANISCHADRA2AADRA1DADRA1B | |
| SCHEMBL16512331 | 0.83 | ADRA1A (0.49) | ADRA1ANISCHADRA2AADRA1DADRA1B | |
| SCHEMBL16577403 | 0.82 | ADRA1A (0.47) | ADRA1ANISCHADRA2AADRA1DADRA1B | |
| SCHEMBL1494449 | 0.81 | — | — | |
| SCHEMBL1299173 | 0.81 | — | — | |
| SCHEMBL184451 | 0.81 | ADRA1A (0.55) | ADRA1ANISCHADRA2AADRA1DADRA1B |
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 |
|---|---|---|---|---|---|---|---|
| US-8716472-B2 | Tripodal cyclohexane derivatives and their use as carbohydrate receptors | UNIVERSITY OF ROCHESTER (US) | 2014-05-06 | — | — | US | claimed |
| US-20100041568-A1 | TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS | UNIVERSITY OF ROCHESTER (US) | 2010-02-18 | — | — | US | claimed |
| US-8716472-B2 | Tripodal cyclohexane derivatives and their use as carbohydrate receptors | UNIVERSITY OF ROCHESTER (US) | 2014-05-06 | — | — | US | disclosed |
| US-20100041568-A1 | TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS | UNIVERSITY OF ROCHESTER (US) | 2010-02-18 | — | — | 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-20100041568-A1 | TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS | CA14, HCAR1, CCKAR | ADRA1A 3491/4885NISCH 762/4885ADRA2A 3726/4885 |
“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.