Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL25871383 | 0.81 | CYP2A6 (0.56) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL3424504 | 0.81 | CYP2A6 (0.56) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL9261809 | 0.80 | KIF11 (0.53) | CYP2A6TP53SMN1; SMN2MAPTKIF11 | |
| SCHEMBL13393530 | 0.80 | NPC1 (0.64) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL19229867 | 0.80 | CYP46A1 (0.47) | NPC1RAB9ASMN1; SMN2MAPTKIF11 | |
| SCHEMBL14493330 | 0.80 | CYP2A6 (0.54) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL12326409 | 0.77 | AKR1C3 (0.57) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL18373406 | 0.77 | CYP2A6 (0.51) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL4470418 | 0.77 | CYP2A6 (0.51) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL14003400 | 0.76 | CYP2A6 (0.54) | CYP2A6NPC1RAB9ATP53SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170233385-A1 | PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2017-08-17 | — | — | US | disclosed |
| US-20170233385-A1 | PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2017-08-17 | — | — | 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-20170233385-A1 | PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST | HCRTR1, HCRTR2, OPRD1 | CYP2A6 3873/4885NPC1 1353/4885RAB9A 1588/4885 |
“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.