Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 4/20 | 0.42 |
| ▸ | MAOB | P27338 | 5/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7318305 | 0.88 | SMPD1 (0.43) | SIGMAR1ACACBMEN1KMT2AHTR2A | |
| SCHEMBL10738517 | 0.87 | SIGMAR1 (0.42) | SIGMAR1ACACBMAOBMAOAKCNH2 | |
| Hydrochloric Acid SCHEMBL7312601 | 0.82 | SIGMAR1 (0.51) | SIGMAR1MAOB | |
| SCHEMBL10411872 | 0.79 | MTNR1A (0.40) | SIGMAR1ACACBMAOBMAOA | |
| SCHEMBL9218599 | 0.79 | CYP1A2 (0.41) | SIGMAR1MEN1KMT2AHTR2A | |
| Hydrochloric Acid SCHEMBL7311252 | 0.79 | BLM (0.42) | SIGMAR1MEN1KMT2AHTR2A | |
| Hydrochloric Acid SCHEMBL7349845 | 0.77 | MEN1 (0.43) | ACACBMAOBKCNH2MEN1KMT2A | |
| SCHEMBL7312137 | 0.76 | ACACB (0.40) | ACACBKCNH2MEN1KMT2AHTR2A | |
| Oxalic Acid SCHEMBL7318269 | 0.74 | PTGES (0.46) | ACACBMAOBMEN1KMT2A | |
| SCHEMBL10411855 | 0.73 | MTNR1A (0.44) | ACACB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4742084-A | Aralykyl (arylethynyl)aralkyl amines and their use as vasodilators and antihypertensives | MCNEILAB, INC. (US) | 1988-05-03 | — | — | US | disclosed |
| US-4661635-A | ANTIARRHYTHMIA AGENTS | MCNEILAB, INC. (US) | 1987-04-28 | — | — | US | disclosed |
| EP-0146271-A2 | Aralykyl (arylethynyl) aralkyl amines for use as vasodilators and antihypertensives | McNeilab, Inc. (US) | 1985-06-26 | — | — | EP | disclosed |