Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL17786248 | 0.81 | ALDH1A1 (0.52) | ALDH1A1LMNAKDM4EGLAMAPT | |
| SCHEMBL25229553 | 0.77 | ALDH1A1 (0.63) | ALDH1A1LMNAKDM4EGLAMAPT | |
| SCHEMBL11611108 | 0.75 | ALDH1A1 (0.38) | ALDH1A1LMNAKDM4EGLAMAPT | |
| SCHEMBL9904241 | 0.75 | ALDH1A1 (0.44) | ALDH1A1LMNAKDM4EGLAMAPT | |
| SCHEMBL17626298 | 0.74 | TP53 (0.40) | ALDH1A1LMNAKDM4EGLAMAPT | |
| SCHEMBL10279671 | 0.74 | ALDH1A1 (0.46) | ALDH1A1LMNAKDM4EGLAMAPT | |
| SCHEMBL5026873 | 0.74 | MAPT (0.47) | ALDH1A1LMNAKDM4EGLAMAPT | |
| SCHEMBL19969556 | 0.74 | ALDH1A1 (0.46) | ALDH1A1LMNAKDM4EGLAMAPT | |
| SCHEMBL7409608 | 0.74 | HTT (0.62) | ALDH1A1LMNAKDM4EMAPTKMT2A | |
| SCHEMBL6886919 | 0.71 | EPHX2 (0.41) | ALDH1A1LMNAKDM4EMAPTCOPS5 |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002084288-A9 | INDIVIDUALIZATION OF THERAPY WITH ANTIARRHYTHMICS | UNIV MCGILL (CA) | 2004-05-27 | — | — | WO | disclosed |
| WO-2002064816-A9 | MULTIPLE DETERMINANTS FOR METABOLIC PHENOTYPES | UNIV MCGILL (CA) | 2004-03-18 | — | — | WO | disclosed |
| EP-1386156-A2 | INDIVIDUALIZATION OF THERAPY WITH ANTINEOPLASTIC AGENTS | McGILL UNIVERSITY (CA) | 2004-02-04 | — | — | EP | disclosed |
| EP-1379872-A2 | USE OF METABOLIC PHENOTYPING IN INDIVIDUALIZED TREATMENT WITH AMONAFIDE | McGILL UNIVERSITY (CA) | 2004-01-14 | — | — | EP | disclosed |
| WO-2004003550-A2 | INDIVIDUALIZATION OF THERAPY WITH ANTICOAGULANTS | XANTHUS LIFE SCIENCES, INC. (US) | 2004-01-08 | — | — | WO | disclosed |
| EP-1373551-A2 | MULTIPLE DETERMINANTS FOR METABOLIC PHENOTYPES | McGill University (CA) | 2004-01-02 | — | — | EP | disclosed |
| EP-1370865-A2 | METABOLIC PHENOTYPING IN THERAPY WITH IMMUNOSUPPRESSANTS | McGILL UNIVERSITY (CA) | 2003-12-17 | — | — | EP | disclosed |
| WO-2003067257-A1 | INDIVIDUALIZATION OF THERAPY WITH ANXIOLITICS | MCGILL UNIVERSITY (CA) | 2003-08-14 | — | — | WO | disclosed |
| WO-2003052123-A1 | INDIVIDUALIZATION OF THERAPY WITH ANTIHISTAMINES | XANTHUS LIFE SCIENCES, INC. (US) | 2003-06-26 | — | — | WO | disclosed |
| WO-2003046559-A2 | INDIVIDUALIZATION OF THERAPY WITH ANTIVIRAL AGENTS | XANTHUS LIFE SCIENCES, INC. (US) | 2003-06-05 | — | — | WO | disclosed |
| WO-2002084288-A2 | INDIVIDUALIZATION OF THERAPY WITH ANTIARRHYTHMICS | MCGILL UNIVERSITY (CA) | 2002-10-24 | — | — | WO | disclosed |
| WO-2002073197-A2 | INDIVIDUALIZATION OF THERAPY WITH ANTIDEPRESSANTS | MCGILL UNIVERSITY (CA) | 2002-09-19 | — | — | WO | disclosed |
| WO-2002073196-A2 | INDIVIDUALIZATION OF THERAPY WITH ANTIPSYCHOTICS | MCGILL UNIVERSITY (CA) | 2002-09-19 | — | — | WO | disclosed |
| WO-2002073205-A2 | METABOLIC PHENOTYPING IN THERAPY WITH IMMUNOSUPPRESSANTS | MCGILL UNIVERSITY (CA) | 2002-09-19 | — | — | WO | disclosed |
| WO-2002073206-A2 | METABOLIC PHENOTYPING IN THERAPY WITH ANXIOLYTICS | MCGILL UNIVERSITY (CA) | 2002-09-19 | — | — | WO | disclosed |
| WO-2002071060-A2 | USE OF METABOLIC PHENOTYPING IN INDIVIDUALIZED TREATMENT WITH AMONAFIDE | MCGILL UNIVERSITY (CA) | 2002-09-12 | — | — | WO | disclosed |
| WO-2002064816-A2 | MULTIPLE DETERMINANTS FOR METABOLIC PHENOTYPES | MCGILL UNIVERSITY (CA) | 2002-08-22 | — | — | WO | disclosed |
| US-5830672-A | MEASUREMENT WITH ANTIBODIES OF DIFFERENT METABOLITES OF CAFFEINE AFTER DRINKING COFFEE | MCGILL UNIVERSITY (CA) | 1998-11-03 | — | — | US | disclosed |
| US-4299832-A | Substituted theophylline compounds | FISONS LIMITED (GB) | 1981-11-10 | — | — | US | disclosed |
| EP-0011399-A1 | N-substituted theophyllines, processes for their preparation and pharmaceutical compositions containing them | FISONS plc (GB) | 1980-05-28 | — | — | EP | disclosed |