Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ALPG | P10696 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | NPY1R | P25929 | 1/20 | 0.43 |
| ▸ | NPY2R | P49146 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11418157 | 0.81 | CFTR (0.46) | CFTRCA2CA4CA5AALDH1A1 | |
| SCHEMBL7364597 | 0.78 | ALDH1A1 (0.48) | CFTRCA2CA4CA5AALDH1A1 | |
| SCHEMBL10876541 | 0.77 | ALDH1A1 (0.56) | CFTRCA2CA4CA5AALDH1A1 | |
| SCHEMBL11587700 | 0.77 | CFTR (0.46) | CFTRCA2CA4CA5AALDH1A1 | |
| Methylene Chloride SCHEMBL28537220 | 0.77 | CFTR (0.46) | CFTRCA2CA4CA5AALDH1A1 | |
| SCHEMBL28979738 | 0.74 | ALDH1A1 (0.53) | CFTRCA2CA4CA5AALDH1A1 | |
| SCHEMBL95882 | 0.73 | CA2 (0.52) | CFTRCA2CA4CA5AALDH1A1 | |
| SCHEMBL140712 | 0.73 | CA2 (0.52) | CFTRCA2CA4CA5AALDH1A1 | |
| SCHEMBL28809780 | 0.73 | CA2 (0.52) | CFTRCA2CA4CA5AALDH1A1 | |
| SCHEMBL7058667 | 0.72 | AOX1 (0.53) | CFTRCA2CA4CA5AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0642507-B1 | TRANSITION STATE ANALOGUES OF COCAINE, THEIR USE FOR PRODUCING CATALYTIC ANTIBODIES AGAINST COCAINE AND USE OF THE SAME IN DIAGNOSIS AND THERAPY | UNIV COLUMBIA (US) | 2004-02-04 | — | — | EP | disclosed |
| US-6566084-B1 | Detecting hydrolysis of cocaine compound; obtain cocaine mixture, incubate with antibody, monitor generation of benzoic zacid | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2003-05-20 | — | — | US | disclosed |
| US-6184013-B1 | ANTIBODY FOR REDUCING CONCENTRATION OF DRUG IN PATIENT | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2001-02-06 | — | — | US | disclosed |
| US-5990285-A | ANTIBODY CAPABLE OF BINDING A TRANSITION STATE ANALOG FOR THE HYDROLYSIS OF COCAINE BENZOYL ESTER GROUP; TREATMENT OF DRUG ABUSE, DRUG DEPENDENCE, OVERDOSES | THE TRUSTEES OF COLUMBIA UNIVERSITY (US) | 1999-11-23 | — | — | US | disclosed |
| US-5977314-A | ANTIBODY CAPABLE OF CATALYZING THE HYDROLYSIS OF COCAINE AT BENZOYL ESTER GROUP AND AGAINST SPECIFIC STRUCTURAL COMPOUNDS LISTED; FOR DECREASING CONCENTRATION OF COCAINE IN A SUBJECT | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 1999-11-02 | — | — | US | disclosed |
| EP-0642507-A4 | CATALYTIC ANTIBODIES AGAINST COCAINE AND METHODS OF USING AND PRODUCING SAME. | — | 1995-03-29 | — | — | EP | disclosed |
| EP-0642507-A1 | CATALYTIC ANTIBODIES AGAINST COCAINE AND METHODS OF USING AND PRODUCING SAME | The Trustees of Columbia University in the City of New York (US) | 1995-03-15 | — | — | EP | disclosed |
| WO-1993020076-A1 | CATALYTIC ANTIBODIES AGAINST COCAINE AND METHODS OF USING AND PRODUCING SAME | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 1993-10-14 | — | — | WO | disclosed |
| US-3943170-A | Process for the preparation of halo-methylphosphinic acid halides | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-03-09 | — | — | US | disclosed |