Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 8/20 | 0.41 |
| ▸ | DRD2 | P14416 | 8/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.37 |
| ▸ | CHRNA1 | P02708 | 3/20 | 0.37 |
| ▸ | CHRNG | P07510 | 1/20 | 0.37 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.37 |
| ▸ | CHRND | Q07001 | 1/20 | 0.37 |
| ▸ | CHRNA2 | Q15822 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7099140 | 1.00 | DRD3 (0.41) | DRD3DRD2CYP2D6TSHRNFKB1 | |
| SCHEMBL7098422 | 0.96 | DRD3 (0.45) | DRD3DRD2CYP2D6TSHRNFKB1 | |
| SCHEMBL7101838 | 0.91 | CHRNB4 (0.39) | DRD3DRD2CYP2D6TSHRNFKB1 | |
| SCHEMBL7102542 | 0.91 | CHRNB4 (0.39) | DRD3DRD2CYP2D6TSHRNFKB1 | |
| SCHEMBL7103951 | 0.88 | CHRNA3 (0.51) | DRD3DRD2CHRNB4CHRNA3CHRNB2 | |
| SCHEMBL7099486 | 0.88 | CHRNA3 (0.51) | DRD3DRD2CHRNB4CHRNA3CHRNB2 | |
| SCHEMBL7097802 | 0.86 | CHRNA1 (0.43) | DRD3DRD2CYP2D6TSHRNFKB1 | |
| SCHEMBL7099363 | 0.86 | CHRNA1 (0.43) | DRD3DRD2CYP2D6TSHRNFKB1 | |
| SCHEMBL7101832 | 0.84 | CHRNA3 (0.55) | DRD3DRD2CYP2D6TSHRNFKB1 | |
| SCHEMBL7102428 | 0.84 | CHRNA3 (0.55) | DRD3DRD2CYP2D6TSHRNFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2003500402-A | — | — | 2003-01-07 | — | — | JP | claimed |
| EP-1178982-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2002-02-13 | — | — | EP | claimed |
| WO-2000071534-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2000-11-30 | — | — | WO | claimed |
| EP-1178982-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000071534-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2000-11-30 | — | — | WO | disclosed |