Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | HTR2C | P28335 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | HTR1A | P08908 | 4/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 10/20 | 0.34 |
| ▸ | HTR2A | P28223 | 10/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8806120 | 0.87 | CYP2D6 (0.36) | CYP2D6TSHRHTR2CMAPTHTR1A | |
| SCHEMBL8804858 | 0.86 | CYP2D6 (0.36) | CYP2D6TSHRHTR2CMAPTHTR1A | |
| SCHEMBL9142589 | 0.85 | CYP2D6 (0.35) | CYP2D6TSHRHTR2CMAPTHTR1A | |
| SCHEMBL8804087 | 0.83 | TSHR (0.35) | CYP2D6TSHRHTR2CMAPTHTR1A | |
| SCHEMBL8806935 | 0.82 | NPSR1 (0.36) | CYP2D6TSHRHTR2CMAPTHTR1A | |
| SCHEMBL8878777 | 0.82 | MAPT (0.35) | CYP2D6TSHRHTR2CMAPTHTR1A | |
| SCHEMBL8807137 | 0.82 | SMN1; SMN2 (0.36) | CYP2D6TSHRHTR2CMAPTHTR1A | |
| SCHEMBL8878126 | 0.81 | TSHR (0.37) | CYP2D6TSHRHTR2CMAPTHTR1A | |
| SCHEMBL8876991 | 0.81 | MAPT (0.37) | CYP2D6TSHRHTR2CMAPTHTR1A | |
| SCHEMBL8806082 | 0.80 | CYP2D6 (0.35) | CYP2D6TSHRHTR2CMAPTHTR1A |
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 |