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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CPA3 | P15088 | 3/20 | 0.54 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.51 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.49 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.49 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.49 |
| ▸ | CPA1 | P15085 | 7/20 | 0.49 |
| ▸ | CPB1 | P15086 | 1/20 | 0.49 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ANPEP | P15144 | 1/20 | 0.45 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.45 |
| ▸ | ALPI | P09923 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | XIAP | P98170 | 1/20 | 0.44 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.44 |
| ▸ | MME | P08473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2589028 | 0.87 | CYP1A2 (0.70) | CYP1A2CPA3FOLH1SLC1A3SLC1A2 | |
| SCHEMBL9453498 | 0.79 | CYP1A2 (0.50) | CYP1A2CPA3FOLH1SLC1A3SLC1A2 | |
| Phenylalanine SCHEMBL25434211 | 0.78 | SLC7A5 (0.73) | CYP1A2SLC1A3SLC1A2SLC1A1TSHR | |
| Dl-Phenylalanine SCHEMBL25434213 | 0.78 | SLC7A5 (0.73) | CYP1A2SLC1A3SLC1A2SLC1A1TSHR | |
| SCHEMBL429946 | 0.78 | FOLH1 (0.70) | CYP1A2CPA3FOLH1SLC1A3SLC1A2 | |
| SCHEMBL12494233 | 0.77 | CYP1A2 (0.83) | CYP1A2CPA3FOLH1SLC1A3SLC1A2 | |
| SCHEMBL6724759 | 0.77 | CYP1A2 (0.83) | CYP1A2CPA3FOLH1SLC1A3SLC1A2 | |
| SCHEMBL19821208 | 0.77 | CYP1A2 (0.83) | CYP1A2CPA3FOLH1SLC1A3SLC1A2 | |
| Hydrochloric Acid SCHEMBL30239113 | 0.76 | FOLH1 (0.68) | CYP1A2CPA3FOLH1SLC1A3SLC1A2 | |
| SCHEMBL3044591 | 0.76 | CYP1A2 (0.57) | CYP1A2CPA3FOLH1SLC1A3SLC1A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1237897-B1 | ANTITHROMBOTIC COMPOUND | MERCK SHARP & DOHME (NL) | 2015-01-14 | — | — | EP | disclosed |
| CN-1195767-C | Antithrombotic compound | AKZO NOBEL NV (FR) | 2005-04-06 | — | — | CN | disclosed |
| US-6875755-B2 | Antithrombotic compound | AKZO NOBEL N.V. (NL) | 2005-04-05 | — | — | US | disclosed |
| US-20030114361-A1 | Antithrombotic compound | MERCK SHARP & DOHME B.V. (NL) | 2003-06-19 | — | — | US | disclosed |
| CN-1407989-A | Antithrombotic compound | AKZO NOBEL NV (NL) | 2003-04-02 | — | — | CN | disclosed |
| EP-1237897-A2 | ANTITHROMBOTIC COMPOUND | Akzo Nobel N.V. (NL) | 2002-09-11 | — | — | EP | disclosed |
| WO-2001042262-A2 | ANTITHROMBOTIC COMPOUND | AKZO NOBEL N.V. (NL) | 2001-06-14 | — | — | 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-20030114361-A1 | Antithrombotic compound | SERPINC1, ADAMTS13, F2 | CYP1A2 1745/4885CPA3 39/4885FOLH1 278/4885 |
“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.