Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.44 |
| ▸ | PRNP | P04156 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL728065 | 0.85 | CYP1A2 (0.54) | CYP1A2PDE10ARXFP1PRNPNPSR1 | |
| SCHEMBL14086502 | 0.80 | PDE10A (0.50) | CYP1A2PDE10ACYP2C19CYSLTR1 | |
| SCHEMBL5016772 | 0.78 | PRNP (0.55) | CYP1A2RXFP1PRNPNPSR1MAPK10 | |
| SCHEMBL27727433 | 0.78 | CYP1A2 (0.57) | CYP1A2PDE10AGPBAR1KDM4EMAPT | |
| SCHEMBL2913941 | 0.76 | PDE10A (0.61) | CYP1A2PDE10ACYP2C19CYSLTR1 | |
| SCHEMBL4623799 | 0.76 | CYP1A2 (0.68) | CYP1A2PDE10ANPSR1GPBAR1ALOX5 | |
| SCHEMBL547194 | 0.75 | FFAR1 (0.63) | CYP1A2RXFP1PRNPNPSR1MAPK10 | |
| SCHEMBL29858122 | 0.74 | HTT (0.55) | CYP1A2HTTMEN1KMT2A | |
| SCHEMBL10980763 | 0.74 | CYP1A2 (0.53) | CYP1A2PDE10AGPBAR1ALOX5MAPT | |
| Acetic Acid SCHEMBL29172163 | 0.74 | CYP1A2 (0.53) | CYP1A2PDE10AGPBAR1ALOX5KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1313751-B1 | NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY | BASILEA PHARMACEUTICA AG (CH) | 2008-09-17 | — | — | EP | disclosed |