Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1692421 | 1.00 | TAAR1 (0.39) | TAAR1ALDH1A1GLASMN1; SMN2HTR2A | |
| SCHEMBL15307500 | 1.00 | TAAR1 (0.39) | TAAR1ALDH1A1GLASMN1; SMN2HTR2A | |
| SCHEMBL15693954 | 1.00 | TAAR1 (0.39) | TAAR1ALDH1A1GLASMN1; SMN2HTR2A | |
| SCHEMBL1692202 | 1.00 | TAAR1 (0.39) | TAAR1ALDH1A1GLASMN1; SMN2HTR2A | |
| SCHEMBL15308722 | 1.00 | TAAR1 (0.39) | TAAR1ALDH1A1GLASMN1; SMN2HTR2A | |
| SCHEMBL15307502 | 0.79 | NPC1 (0.37) | ALDH1A1GLASMN1; SMN2HCRTR2TMEM97 | |
| SCHEMBL15693953 | 0.79 | NPC1 (0.37) | ALDH1A1GLASMN1; SMN2HCRTR2TMEM97 | |
| SCHEMBL1280479 | 0.79 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1280894 | 0.79 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1692463 | 0.79 | NPC1 (0.37) | ALDH1A1GLASMN1; SMN2HCRTR2TMEM97 |
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-8722662-B2 | Heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-05-13 | — | — | US | disclosed |
| US-20120088748-A1 | HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-04-12 | — | — | US | disclosed |
| US-20120088748-A1 | HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-04-12 | — | — | US | disclosed |
| WO-2012046882-A1 | 1,4-OXAZEPANE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-04-12 | — | — | 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 (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-20120088748-A1 | HETEROCYCLIC COMPOUNDS | SLC6A2, MAOB, MAOA | TAAR1 50/4885ALDH1A1 230/4885GLA 1754/4885 |
“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.