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 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.39 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | MMP13 | P45452 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27699329 | 1.00 | TSHR (0.46) | TSHRSMN1; SMN2HSD11B1PSIP1BLM | |
| SCHEMBL4344155 | 0.89 | CYP2D6 (0.41) | TSHRSMN1; SMN2BLMALDH1A1CYP2C19 | |
| Benzene SCHEMBL4960434 | 0.83 | GGT1 (0.39) | SMN1; SMN2BLMALDH1A1GAACYP2C19 | |
| Benzene SCHEMBL27719900 | 0.83 | GGT1 (0.39) | SMN1; SMN2BLMALDH1A1GAACYP2C19 | |
| SCHEMBL27601822 | 0.79 | GGT1 (0.42) | TSHRBLMALDH1A1GAACYP2C19 | |
| SCHEMBL264732 | 0.79 | GGT1 (0.42) | TSHRBLMALDH1A1GAACYP2C19 | |
| Hydrochloric Acid SCHEMBL28437650 | 0.78 | GGT1 (0.41) | TSHRBLMALDH1A1GAAPOLB | |
| Hydrochloric Acid SCHEMBL4330886 | 0.78 | GGT1 (0.41) | TSHRBLMALDH1A1GAAPOLB | |
| SCHEMBL27665582 | 0.77 | AKR1B1 (0.41) | TSHRBLMALDH1A1GAACYP2D6 | |
| SCHEMBL28761473 | 0.74 | PPARG (0.39) | BLMALDH1A1GAAKDM4EHPGD |
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-7612226-B2 | Amino acid derivatives | PFIZER INC. (US) | 2009-11-03 | — | — | US | disclosed |
| US-20060247291-A1 | Amino acid derivatives | PFIZER, INC. | 2006-11-02 | — | — | 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-20060247291-A1 | Amino acid derivatives | OPRL1, BCAT2, BCAT1 | TSHR 1291/4885SMN1; SMN2 1707/4885HSD11B1 3746/4885 |
“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.