Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL178535 | 0.87 | ALDH1A1 (0.40) | ALDH1A1HTTNPC1RAB9AKDM4E | |
| SCHEMBL2208887 | 0.85 | CHRNB4 (0.45) | ALDH1A1HTTNPC1RAB9AKDM4E | |
| SCHEMBL178540 | 0.84 | SMN1; SMN2 (0.41) | ALDH1A1HTTNPC1RAB9AKDM4E | |
| SCHEMBL12904308 | 0.81 | MIF (0.43) | ALDH1A1HTTNPC1RAB9AKDM4E | |
| SCHEMBL10226129 | 0.81 | CA1 (0.47) | ALDH1A1HTTNPC1RAB9AKDM4E | |
| SCHEMBL10227364 | 0.81 | KIF11 (0.38) | ALDH1A1HTTNPC1RAB9AKDM4E | |
| SCHEMBL178532 | 0.81 | CHRNB4 (0.37) | ALDH1A1HTTNPC1RAB9AKDM4E | |
| SCHEMBL178519 | 0.81 | CHRNB4 (0.37) | ALDH1A1HTTNPC1RAB9AKDM4E | |
| SCHEMBL178521 | 0.79 | CLK4 (0.38) | BACE1 | |
| SCHEMBL178562 | 0.78 | NOTUM (0.36) | HTTNPC1RAB9ACYP2C9BACE1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120059015-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LTD. (IT) | 2012-03-08 | — | — | 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-20120059015-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | GRM5, GPR65, GRIK5 | ALDH1A1 1514/4885HTT 1186/4885NPC1 1734/4885 |
“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.