Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.46 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.45 |
| ▸ | F10 | P00742 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17608849 | 0.86 | ALDH1A1 (0.51) | ALDH1A1KDM4EMAPTSLC6A2SLC6A4 | |
| SCHEMBL19317591 | 0.83 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTSLC6A2SLC6A4 | |
| SCHEMBL8507324 | 0.83 | MAPT (0.56) | ALDH1A1KDM4EMAPTSLC6A2SLC6A4 | |
| SCHEMBL7006435 | 0.82 | L3MBTL1 (0.58) | ALDH1A1KDM4EMAPTSLC6A2SLC6A4 | |
| SCHEMBL17623894 | 0.82 | SLC6A2 (0.49) | ALDH1A1KDM4EMAPTSLC6A2SLC6A4 | |
| SCHEMBL17772777 | 0.82 | MAPT (0.61) | ALDH1A1KDM4EMAPTNPSR1MEN1 | |
| SCHEMBL8665887 | 0.81 | ALDH1A1 (0.62) | ALDH1A1KDM4EMAPTSLC6A2SLC6A4 | |
| SCHEMBL7004883 | 0.80 | L3MBTL1 (0.56) | ALDH1A1KDM4EMAPTSLC6A2SLC6A4 | |
| SCHEMBL17624261 | 0.80 | SLC6A2 (0.47) | ALDH1A1KDM4EMAPTSLC6A2SLC6A4 | |
| SCHEMBL17624252 | 0.80 | MAPT (0.49) | ALDH1A1MAPTSLC6A2SLC6A4SLC6A3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170253615-A1 | Spirocyclic derivatives | SHIRE INTERNATIONAL GMBH (CH) | 2017-09-07 | — | — | US | disclosed |
| US-20170253592-A1 | N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM | SHIRE INTERNATIONAL GMBH (CH) | 2017-09-07 | — | — | US | disclosed |
| WO-2016042452-A1 | Spirocyclic derivatives | SHIRE INTERNATIONAL GMBH (CH) | 2016-03-24 | — | — | WO | disclosed |
| WO-2016042453-A1 | N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM | SHIRE INTERNATIONAL GMBH (CH) | 2016-03-24 | — | — | 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-20170253592-A1 | N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM | SLC6A3, SLC6A2, SLC6A19 | ALDH1A1 976/4885KDM4E 3866/4885MAPT 857/4885 |
| US-20170253615-A1 | Spirocyclic derivatives | SLC6A3, SLC10A1, ABCB11 | ALDH1A1 549/4885KDM4E 4297/4885MAPT 2412/4885 |
“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.