Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 3/20 | 0.36 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.35 |
| ▸ | FABP3 | P05413 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1256101 | 0.81 | ADRA2A (0.41) | CHRNB2CHRNA4USP30ADRA1DADRA1A | |
| SCHEMBL18085976 | 0.78 | NPC1 (0.37) | NPC1RAB9AHTR2BADRA1A | |
| SCHEMBL13385087 | 0.76 | PDE4B (0.48) | PDE4BPDE4APDE4CPDE4DNR1H4 | |
| SCHEMBL18288005 | 0.74 | RAB9A (0.40) | NPC1RAB9AKDM4EADRA1A | |
| SCHEMBL18555663 | 0.72 | KDM4E (0.41) | CYP19A1KDM4ELMNAADRA1DADRA1A | |
| SCHEMBL6231988 | 0.72 | SMN1; SMN2 (0.39) | NPC1RAB9AKDM4ELMNA | |
| SCHEMBL10761583 | 0.72 | HTR2C (0.49) | CYP19A1HTR2B | |
| SCHEMBL28039230 | 0.70 | PDE4B (0.50) | PDE4BPDE4APDE4CPDE4DKDM4E | |
| SCHEMBL28923075 | 0.70 | CYP1A1 (0.42) | NPC1RAB9AKDM4E | |
| SCHEMBL3727526 | 0.70 | TSHR (0.36) | NPC1RAB9AHTR2B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1354887-B1 | Ligands for metals and improved metal-catalyzed processes based thereon | MASSACHUSETTS INST TECHNOLOGY (US) | 2007-04-25 | — | — | EP | disclosed |
| EP-1097158-B1 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INST TECHNOLOGY (US) | 2006-01-25 | — | — | EP | disclosed |
| EP-1354887-A1 | Ligands for metals and improved metal-catalyzed processes based thereon | Massachusetts Insitute of Technology (US) | 2003-10-22 | — | — | EP | disclosed |
| EP-1097158-A2 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2001-05-09 | — | — | EP | disclosed |
| WO-2000002887-A2 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2000-01-20 | — | — | WO | disclosed |