Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | PLAAT5 | Q96KN8 | 2/20 | 0.39 |
| ▸ | PLAAT4 | Q9UL19 | 2/20 | 0.39 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.39 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27791780 | 0.89 | CYP2D6 (0.45) | KDM4EALDH1A1HPGDCYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL25337399 | 0.88 | CYP2D6 (0.44) | KDM4EALDH1A1HPGDCYP2D6CYP2C9 | |
| SCHEMBL17846147 | 0.88 | TRPV1 (0.44) | KDM4EALDH1A1HPGDCYP2D6CYP2C9 | |
| SCHEMBL15939458 | 0.87 | MTNR1A (0.49) | MTNR1AKDM4EALDH1A1HPGDHIF1A | |
| SCHEMBL17846146 | 0.86 | TRPV1 (0.46) | HPGDTSHR | |
| SCHEMBL28335010 | 0.85 | MTNR1A (0.63) | MTNR1AKDM4EALDH1A1HPGDHIF1A | |
| SCHEMBL28161798 | 0.84 | HIF1A (0.57) | MTNR1AALDH1A1HPGDHIF1AMTNR1B | |
| SCHEMBL19031451 | 0.84 | ALDH1A1 (0.40) | MTNR1AKDM4EALDH1A1HPGDHIF1A | |
| SCHEMBL3072431 | 0.84 | MTNR1A (0.61) | MTNR1AKDM4EMTNR1BCYP1A2TSHR | |
| SCHEMBL6921461 | 0.81 | CYP1A2 (0.49) | MTNR1AKDM4EHIF1AMTNR1BCA12 |
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-3750885-A1 | COMPOUND HAVING BET INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREFOR | Shanghai Haihe Pharmaceutical Co., Ltd. (CN) | 2020-12-16 | — | — | EP | disclosed |
| CN-101535276-B | 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors | CEPHALON INC | 2013-08-28 | — | — | CN | disclosed |
| CN-101535276-A | 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors | CEPHALON INC (US) | 2009-09-16 | — | — | CN | disclosed |
| EP-1924265-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | Genzyme Corporation (US) | 2008-05-28 | — | — | EP | disclosed |
| EP-1809597-A1 | AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | Abbott GmbH & Co. KG (DE) | 2007-07-25 | — | — | EP | disclosed |
| WO-2007022371-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | GENZYME CORPORATION (US) | 2007-02-22 | — | — | WO | disclosed |
| WO-2006040179-A1 | AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | ABBOTT GMBH & CO. KG (DE) | 2006-04-20 | — | — | WO | disclosed |