Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CASR | P41180 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | NT5E | P21589 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | LARS1 | Q9P2J5 | 1/20 | 0.38 |
| ▸ | KYNU | Q16719 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6357306 | 0.87 | CYP2D6 (0.47) | TSHRSMN1; SMN2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL6362798 | 0.85 | SLC1A3 (0.46) | TSHRSMN1; SMN2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL6357842 | 0.85 | CASR (0.43) | TSHRALDH1A1CASRMAPTHSD17B10 | |
| SCHEMBL6355799 | 0.83 | CA2 (0.45) | TSHRSMN1; SMN2SLC1A2ALDH1A1MAPT | |
| Alanine SCHEMBL10626231 | 0.82 | TSHR (0.64) | TSHRSMN1; SMN2SLC1A3SLC1A2SLC1A1 | |
| Alanine SCHEMBL10627958 | 0.82 | TSHR (0.64) | TSHRSMN1; SMN2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL6356470 | 0.80 | ALDH1A1 (0.43) | TSHRPOLBALDH1A1CASRHSD17B10 | |
| SCHEMBL6357707 | 0.80 | ALDH1A1 (0.43) | TSHRPOLBALDH1A1CASRHSD17B10 | |
| SCHEMBL6356821 | 0.80 | ALDH1A1 (0.43) | TSHRPOLBALDH1A1CASRHSD17B10 | |
| Isopropylamine SCHEMBL25405525 | 0.79 | TSHR (0.73) | TSHRSMN1; SMN2SLC1A3SLC1A2SLC1A1 |
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-20050107473-A1 | Process for producing tert-leucine | AJINOMOTO CO. INC (JP) | 2005-05-19 | — | — | 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-20050107473-A1 | Process for producing tert-leucine | TERT, LRRK2, BCAT1 | TSHR 135/4885SMN1; SMN2 3173/4885SLC1A3 2282/4885 |
“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.