Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5748317 | 0.77 | HRH1 (0.49) | HTR1BCYP1A2HTR2AKDM4EALDH1A1 | |
| SCHEMBL5770349 | 0.77 | HTR1B (0.49) | HTR1BCYP1A2HTR2AKDM4EALDH1A1 | |
| SCHEMBL28824473 | 0.76 | GPR3 (0.43) | CYP1A2CYP2C19KDM4EALDH1A1TDP1 | |
| SCHEMBL5776857 | 0.74 | HTR1B (0.45) | HTR1BGRIN1GRIN2AGRIN2BHTR2A | |
| SCHEMBL5748846 | 0.74 | HTR7 (0.51) | CYP2C19HTR2AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL5770644 | 0.74 | SLC6A4 (0.48) | HTR1BHTR2AALDH1A1 | |
| SCHEMBL5746513 | 0.74 | HTR7 (0.48) | CYP2C19HTR2AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL5747600 | 0.73 | HTR1B (0.47) | HTR1BGRIN1GRIN2AGRIN2BKDM4E | |
| SCHEMBL5745230 | 0.73 | HTR7 (0.52) | CYP2C19HTR2ATDP1 | |
| SCHEMBL5745083 | 0.73 | RAB9A (0.44) | HTR1BKDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1711463-A2 | AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE | ABBOTT LABORATORIES (US) | 2006-10-18 | — | — | EP | disclosed |
| WO-2005077899-A2 | AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE | ABBOTT LABORATORIES (US) | 2005-08-25 | — | — | WO | disclosed |