Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 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 | |
|---|---|---|---|---|
| SCHEMBL19812940 | 0.87 | CYP2C19 (0.44) | CYP1A2CYP3A4RECQLCYP2C19HIF1A | |
| SCHEMBL3261996 | 0.85 | CYP1A2 (0.42) | CYP1A2CYP3A4RECQLCYP2C19HIF1A | |
| SCHEMBL2699401 | 0.85 | MAPT (0.48) | CYP2C19HIF1AALDH1A1MAPTCHRM1 | |
| SCHEMBL12837474 | 0.82 | CYP1A2 (0.42) | CYP1A2CYP3A4RECQLCYP2C19HIF1A | |
| SCHEMBL28140546 | 0.82 | HIF1A (0.42) | CYP1A2CYP2C19HIF1AALDH1A1MAPT | |
| SCHEMBL3268588 | 0.82 | HIF1A (0.47) | CYP1A2CYP3A4RECQLCYP2C19HIF1A | |
| SCHEMBL1666959 | 0.82 | MAPK1 (0.47) | CYP1A2CYP3A4RECQLCYP2C19HIF1A | |
| SCHEMBL3270690 | 0.81 | HIF1A (0.46) | CYP1A2CYP3A4RECQLCYP2C19HIF1A | |
| SCHEMBL28468416 | 0.81 | HIF1A (0.41) | CYP1A2CYP2C19HIF1AALDH1A1MAPT | |
| SCHEMBL29010044 | 0.78 | CYP1A2 (0.38) | CYP1A2CYP2C19HIF1AALDH1A1MAPT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2054390-A1 | INDAZOLE DERIVATIVES THAT INHIBIT TRPV1 AND USES THEREOF | Abbott Laboratories (US) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008024945-A1 | INDAZOLE DERIVATIVES THAT INHIBIT TRPV1 AND USES THEREOF | ABBOTT LABORATORIES (US) | 2008-02-28 | — | — | WO | disclosed |
| EP-1490335-A4 | BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2006-02-08 | — | — | EP | disclosed |
| EP-1490335-A2 | BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | Merck & Co., Inc. (US) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003082817-A2 | BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2003-10-09 | — | — | WO | disclosed |
| US-5089639-A | N-CYCLOALKYLALKYLAMINES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A MEDICAMENT AND THEIR SYNTHESIS INTERMEDIATES | JOUVEINAL S.A. (FR) | 1992-02-18 | — | — | US | disclosed |