Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 13/20 | 0.51 |
| ▸ | PDE9A | O76083 | 2/20 | 0.49 |
| ▸ | COMT | P21964 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL7852281 | 0.89 | TACR1 (0.50) | TACR1CYP2C19 | |
| SCHEMBL7855252 | 0.87 | TACR1 (0.43) | TACR1PDE4AKDM4EALDH1A1 | |
| SCHEMBL7850521 | 0.87 | TACR1 (0.42) | TACR1ELANE | |
| SCHEMBL6993990 | 0.83 | PDE9A (0.48) | TACR1PDE9ACOMTPDE1C | |
| SCHEMBL7851941 | 0.81 | TACR1 (0.39) | TACR1ALDH1A1 | |
| SCHEMBL6991025 | 0.81 | PDE9A (0.46) | TACR1PDE9ACOMTPDE1CALDH1A1 | |
| SCHEMBL7851177 | 0.80 | KMT2A (0.39) | TACR1PDE9AKDM4EALDH1A1 | |
| SCHEMBL7851833 | 0.79 | MAPK14 (0.44) | TACR1PDE9ACYP2C19 | |
| SCHEMBL7854171 | 0.79 | TACR1 (0.52) | TACR1PDE9ACOMTPDE4AKDM4E | |
| SCHEMBL7850548 | 0.77 | TACR1 (0.63) | TACR1COMTPDE4AKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0652218-B1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-07-11 | — | — | EP | disclosed |
| US-5585385-A | USEFUL IN TREATING DISORDERS OF MICTURITION; ADMINISTERING TO INHIBIT PLASMA EXTRAVASATION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-12-17 | — | — | US | disclosed |
| EP-0652218-A1 | Heterocyclic compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1995-05-10 | — | — | EP | disclosed |