Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 5/20 | 0.39 |
| ▸ | DRD2 | P14416 | 4/20 | 0.39 |
| ▸ | DRD4 | P21917 | 4/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5748196 | 0.90 | ACHE (0.51) | ACHEBCHEKDM4EHTR1BDRD3 | |
| SCHEMBL5750390 | 0.89 | ADRB2 (0.49) | ACHEBCHEKDM4EHTR1BDRD3 | |
| SCHEMBL5747939 | 0.82 | HTR1B (0.49) | ACHEBCHEKDM4EHTR1BDRD3 | |
| SCHEMBL5749108 | 0.79 | ADRB2 (0.51) | ACHEBCHEKDM4EHTR1BADRB2 | |
| Formaldehyde SCHEMBL28832453 | 0.78 | BCHE (0.47) | ACHEBCHEL3MBTL1ALDH1A1KCNA3 | |
| SCHEMBL5745828 | 0.75 | HTR1B (0.44) | ACHEBCHEKDM4EHTR1BDRD3 | |
| SCHEMBL11481627 | 0.74 | BCHE (0.44) | ACHEBCHEL3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL5748202 | 0.73 | HTR2A (0.45) | ACHEBCHEHTR1BDRD3KCNA3 | |
| SCHEMBL10447563 | 0.72 | ACHE (0.46) | ACHEBCHEDRD3RETCHRM2 | |
| SCHEMBL12143043 | 0.71 | TDP1 (0.56) | KDM4EALDH1A1GAAKMT2A |
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 4 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 | claimed |
| WO-2005077899-A2 | AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE | ABBOTT LABORATORIES (US) | 2005-08-25 | — | — | WO | claimed |
| 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 |