Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APAF1 | O14727 | 1/20 | 0.98 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.61 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | HTR7 | P34969 | 1/20 | 0.55 |
| ▸ | HRH1 | P35367 | 1/20 | 0.55 |
| ▸ | DRD3 | P35462 | 1/20 | 0.55 |
| ▸ | HTR2B | P41595 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL3034533 | 0.92 | APAF1 (0.84) | APAF1SIGMAR1HDAC1HDAC6BAZ2B | |
| Hydrochloric Acid SCHEMBL11846883 | 0.91 | APAF1 (0.85) | APAF1SIGMAR1HDAC1HDAC6ACHE | |
| SCHEMBL7146651 | 0.90 | APAF1 (0.80) | APAF1SIGMAR1HDAC1HDAC6HTR1A | |
| SCHEMBL12868327 | 0.90 | APAF1 (0.79) | APAF1ACHEBAZ2BHTR1ADRD2 | |
| SCHEMBL7245981 | 0.81 | DRD3 (0.68) | APAF1SIGMAR1HTR1ADRD2HTR2A | |
| SCHEMBL16335515 | 0.80 | SIGMAR1 (0.68) | APAF1SIGMAR1ACHE | |
| SCHEMBL30704348 | 0.79 | ACHE (0.67) | APAF1SIGMAR1ACHE | |
| SCHEMBL11181604 | 0.78 | APAF1 (0.62) | APAF1HTR1ADRD2HTR2AHTR7 | |
| SCHEMBL30945707 | 0.76 | APAF1 (0.60) | APAF1SIGMAR1HDAC1HDAC6ACHE | |
| SCHEMBL10375702 | 0.76 | SIGMAR1 (1.00) | APAF1SIGMAR1ACHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4085216-A | NEUROLEPTIC AGENTS | BOEHRINGER INGELHEIM GMBH (DT) | 1978-04-18 | — | — | US | disclosed |