Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | MAOA | P21397 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8552503 | 0.83 | TAAR1 (0.42) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL535702 | 0.80 | TAAR1 (0.56) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8983689 | 0.80 | TAAR1 (0.56) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14799062 | 0.80 | TAAR1 (0.56) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1403749 | 0.80 | EPHX1 (0.41) | SIGMAR1SLC6A2SLC6A4SLC6A3HTR2A | |
| SCHEMBL68592 | 0.79 | ESR1 (0.47) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28859481 | 0.79 | ESR1 (0.47) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7201337 | 0.79 | ESR1 (0.47) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| Ammonia Solution, Strong SCHEMBL5082413 | 0.78 | TAAR1 (0.54) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3016224 | 0.78 | SIGMAR1 (0.45) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5847006-A | Therapeutic guanidines | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1998-12-08 | — | — | US | disclosed |
| EP-0746316-A4 | THERAPEUTIC GUANIDINES | CAMBRIDGE NEUROSCIENCE INC (US) | 1997-12-10 | — | — | EP | disclosed |
| EP-0746316-A1 | THERAPEUTIC GUANIDINES | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1996-12-11 | — | — | EP | disclosed |
| WO-1995014467-A1 | THERAPEUTIC GUANIDINES | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1995-06-01 | — | — | WO | disclosed |