Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.53 |
| ▸ | PGR | P06401 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL694184 | 0.81 | CYP2A6 (0.53) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 | |
| SCHEMBL28002826 | 0.81 | ALDH1A1 (0.42) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 | |
| SCHEMBL13617123 | 0.81 | ALDH1A1 (0.45) | CYP2A6ACHEMEN1ALDH1A1KMT2A | |
| SCHEMBL13592024 | 0.81 | CYP2A6 (0.50) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 | |
| SCHEMBL10406976 | 0.81 | CYP2A6 (0.50) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 | |
| SCHEMBL1821918 | 0.79 | CYP2A6 (0.60) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 | |
| SCHEMBL10406611 | 0.78 | CYP2A6 (0.47) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2D6 | |
| SCHEMBL28528852 | 0.78 | ATP4A (0.38) | CYP2A6ACHEMEN1ALDH1A1KMT2A | |
| SCHEMBL28358715 | 0.78 | CNR1 (0.40) | CYP2A6ACHEMEN1ALDH1A1KMT2A | |
| SCHEMBL1339482 | 0.77 | AKR1C2 (0.50) | MEN1ALDH1A1KMT2AKDM4ERAB9A |
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-8063099-B2 | Trans-3-aza-bicyclo[3.1.0]hexane derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-11-22 | — | — | US | disclosed |
| US-20110105491-A1 | THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-05-05 | — | — | US | disclosed |
| EP-2185512-B1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-12-29 | — | — | EP | disclosed |
| US-20100204285-A1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-08-12 | — | — | US | disclosed |
| WO-2010004507-A1 | THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2010-01-14 | — | — | WO | disclosed |
| WO-2009016560-A2 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-05 | — | — | 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-20110105491-A1 | THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, OXTR | CYP2A6 1392/4885CYP3A4 976/4885CYP2C19 1253/4885 |
| US-20100204285-A1 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | HCRTR1, HCRTR2, CNR1 | CYP2A6 512/4885CYP3A4 500/4885CYP2C19 447/4885 |
“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.