Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 5/20 | 0.51 |
| ▸ | GABBR1 | Q9UBS5 | 5/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19737209 | 0.75 | GABBR2 (0.42) | GABBR2GABBR1CYP2C19HRH1POLB | |
| SCHEMBL288098 | 0.74 | GABBR2 (0.48) | GABBR2GABBR1CYP2C19LMNACYP2D6 | |
| SCHEMBL18586628 | 0.74 | GABBR2 (0.48) | GABBR2GABBR1CYP2C19LMNACYP2D6 | |
| SCHEMBL2784537 | 0.74 | GABBR2 (0.48) | GABBR2GABBR1CYP2C19LMNACYP2D6 | |
| SCHEMBL5698049 | 0.74 | CHRNB2 (0.54) | GABBR2GABBR1CYP2C19HRH1MEN1 | |
| SCHEMBL16689325 | 0.74 | CHRNB2 (0.54) | GABBR2GABBR1CYP2C19HRH1MEN1 | |
| Hydrochloric Acid SCHEMBL9995401 | 0.73 | CHRNB2 (0.53) | GABBR2GABBR1CYP2C19TDP1MEN1 | |
| SCHEMBL4733857 | 0.72 | AOC3 (0.46) | CYP2C19HRH1LMNACYP2C9CYP3A4 | |
| SCHEMBL19729279 | 0.71 | GABBR2 (0.46) | GABBR2GABBR1CYP2C19MAPT | |
| SCHEMBL17772935 | 0.71 | PGR (0.47) | GABBR2GABBR1CYP2C19HRH1POLB |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020019566-A1 | Alkylation of amino acids | THE ASSOCIATED OCTEL COMPANY LIMITED | 2002-02-14 | — | — | US | disclosed |
| US-6278020-B1 | REACTING AMINO ACID WITH HALOGEN COMPOUND IN AQUEOUS MEDIUM TO FORM ALKYLATED AMINO ACID; RECOVERING UNREACTED AMINO ACID BY ACIDIFICATION TO CRYSTALLIZE PRODUCT; SEPARATION; NANOFILTRATION; RECYCLING | THE ASSOCIATED OCTEL COMPANY LIMITED (GB) | 2001-08-21 | — | — | US | disclosed |
| US-6075164-A | REACTING WITH A DIHALOHYDROCARBYL COMPOUND IN AN AQUEOUS MEDIUM AT A PH IN THE RANGE 7-14 AND IN THE PRESENCE OF DISSOLVED CATIONS OF AN ALKALINE EARTH METAL OR A TRANSITION METAL | THE ASSOCIATED OCTEL COMPANY LIMITED (GB) | 2000-06-13 | — | — | US | disclosed |
| EP-0765863-B1 | Alkylation of amino acids | ASS OCTEL (GB) | 2000-01-12 | — | — | EP | disclosed |
| US-5849948-A | Alkylation of amino acids | THE ASSOCIATED OCTEL COMPANY LIMITED (GB) | 1998-12-15 | — | — | US | disclosed |
| EP-0677037-B1 | ALKYLATION OF AMINO ACIDS | ASS OCTEL (GB) | 1998-04-08 | — | — | EP | disclosed |
| EP-0765863-A1 | Alkylation of amino acids | THE ASSOCIATED OCTEL COMPANY LIMITED (GB) | 1997-04-02 | — | — | EP | disclosed |
| EP-0677037-A1 | ALKYLATION OF AMINO ACIDS | THE ASSOCIATED OCTEL COMPANY LIMITED (GB) | 1995-10-18 | — | — | EP | disclosed |
| WO-1995012570-A2 | ALKYLATION OF AMINO ACIDS | THE ASSOCIATED OCTEL COMPANY LIMITED (GB) | 1995-05-11 | — | — | 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-20020019566-A1 | Alkylation of amino acids | BCAT1, BCAT2, DAO | GABBR2 204/4885GABBR1 330/4885CYP2C19 1208/4885 |
“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.