Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TYMS | P04818 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8804463 | 0.89 | NPSR1 (0.37) | NPSR1SMN1; SMN2L3MBTL1LMNAXBP1 | |
| SCHEMBL8806935 | 0.87 | NPSR1 (0.36) | NPSR1SMN1; SMN2L3MBTL1LMNAXBP1 | |
| SCHEMBL8806120 | 0.83 | CYP2D6 (0.36) | NPSR1SMN1; SMN2LMNAMAPTTDP1 | |
| SCHEMBL9143590 | 0.82 | GFER (0.33) | SMN1; SMN2MAPT | |
| SCHEMBL8803712 | 0.82 | PLD1 (0.33) | PARP1PARP2KMT2AGAADRD2 | |
| SCHEMBL8803350 | 0.82 | IDO1 (0.34) | SMN1; SMN2PARP1PARP2KMT2AALDH1A1 | |
| SCHEMBL8806082 | 0.81 | CYP2D6 (0.35) | NPSR1SMN1; SMN2LMNAMAPTTDP1 | |
| SCHEMBL9139320 | 0.79 | SLC18A2 (0.33) | SMN1; SMN2HTR2ASLC6A3 | |
| SCHEMBL8804858 | 0.79 | CYP2D6 (0.36) | NPSR1SMN1; SMN2LMNAMAPTTDP1 | |
| SCHEMBL8804147 | 0.78 | SLC18A2 (0.33) | ALDH1A1HTR2ASLC6A3 |
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-0647231-B1 | N-SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS, ETC. | BASF AG (DE) | 1997-08-27 | — | — | EP | disclosed |
| US-5475105-A | N-substituted azabicycloheptane derivatives | BASF AKTIENGESELLSCHAFT (DE) | 1995-12-12 | — | — | US | disclosed |