Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 3/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.46 |
| ▸ | HTR3B | O95264 | 2/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.45 |
| ▸ | HTR4 | Q13639 | 4/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL496329 | 0.82 | HIF1A (0.43) | SSTR4 | |
| SCHEMBL2445362 | 0.80 | MAPT (0.43) | — | |
| SCHEMBL496230 | 0.80 | MAPT (0.43) | — | |
| SCHEMBL3668373 | 0.78 | ROCK1 (0.35) | ALDH1A1HSD17B10KDM4ESSTR4 | |
| SCHEMBL3671608 | 0.76 | KDM4E (0.34) | ALDH1A1MAPK1HSD17B10KDM4ESSTR4 | |
| SCHEMBL496426 | 0.76 | KDM4E (0.41) | CYP3A4ALDH1A1TSHRMAPK1HSD17B10 | |
| SCHEMBL2442561 | 0.76 | KDM4E (0.41) | CYP3A4ALDH1A1TSHRMAPK1HSD17B10 | |
| SCHEMBL10520542 | 0.72 | ALDH1A1 (0.51) | CYP3A4ALDH1A1TSHRMAPK1HSD17B10 | |
| SCHEMBL27249840 | 0.69 | HTR3A (0.63) | CYP3A4ALDH1A1TSHRMAPK1HSD17B10 | |
| SCHEMBL6588422 | 0.69 | KDM4E (0.68) | CYP3A4ALDH1A1TSHRMAPK1HSD17B10 |
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-8106215-B2 | 3-aza-bicyclo[3.3.0]octane compounds | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-01-31 | — | — | US | disclosed |
| US-8106215-B2 | 3-aza-bicyclo[3.3.0]octane compounds | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-01-31 | — | — | US | disclosed |
| US-8106215-B2 | 3-aza-bicyclo[3.3.0]octane compounds | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-01-31 | — | — | US | disclosed |
| EP-2164847-B1 | 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-09-14 | — | — | EP | disclosed |
| US-20100184808-A1 | 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-07-22 | — | — | US | disclosed |
| US-20100184808-A1 | 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-07-22 | — | — | US | disclosed |
| US-20100184808-A1 | 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-07-22 | — | — | US | disclosed |
| EP-2164847-A1 | 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS | Actelion Pharmaceuticals Ltd. (CH) | 2010-03-24 | — | — | EP | disclosed |
| WO-2009004584-A1 | 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-01-08 | — | — | WO | disclosed |
| WO-2009004584-A1 | 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-01-08 | — | — | 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-20100184808-A1 | 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS | HCRTR2, HCRTR1, OXTR | CYP3A4 867/4885ALDH1A1 731/4885TSHR 248/4885 |
“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.