Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6535033 | 1.00 | NPC1 (0.44) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL6534955 | 0.99 | NPC1 (0.45) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL6534705 | 0.93 | NPC1 (0.39) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL6535070 | 0.92 | RARB (0.43) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL6535039 | 0.91 | NPC1 (0.36) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL6534966 | 0.89 | NPC1 (0.38) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL6534967 | 0.89 | NPC1 (0.38) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL6534731 | 0.88 | NPC1 (0.38) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL6534936 | 0.87 | NPC1 (0.50) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL6534723 | 0.86 | MGLL (0.37) | NPC1RAB9AKDM4ESMN1; SMN2HSD17B10 |
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-6737124-B2 | ESPECIALLY DISILANES | DISPLAYTECH, INC. | 2004-05-18 | — | — | US | disclosed |
| US-20030003245-A1 | Liquid crystal compounds having a silane tail with a perfluoroalkyl terminal portion | CITIZEN FINETECH MIYOTA CO., LTD. (JP) | 2003-01-02 | — | — | 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-20030003245-A1 | Liquid crystal compounds having a silane tail with a perfluoroalkyl terminal portion | FFAR3, FFAR1, LPAR1 | NPC1 393/4885RAB9A 1832/4885KDM4E 2549/4885 |
“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.