Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | CASR | P41180 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3927833 | 0.77 | CYP3A4 (0.66) | TAAR1CYP3A4CHRM2HTR1AADRA2A | |
| SCHEMBL1132349 | 0.77 | CYP3A4 (0.66) | TAAR1CYP3A4CHRM2HTR1AADRA2A | |
| SCHEMBL4706959 | 0.77 | CYP3A4 (0.66) | TAAR1CYP3A4CHRM2HTR1AADRA2A | |
| SCHEMBL8352681 | 0.72 | MTOR (0.74) | TAAR1CYP3A4SLC6A4SLC6A3LMNA | |
| SCHEMBL2404970 | 0.72 | CYP3A4 (0.49) | TAAR1CYP3A4CHRM2HTR1AADRA2A | |
| SCHEMBL27985641 | 0.72 | HRH1 (0.48) | TAAR1CYP3A4SLC6A4SLC6A3CYP1A2 | |
| Hydrochloric Acid SCHEMBL28410803 | 0.71 | CYP3A4 (0.75) | TAAR1CYP3A4SLC6A4SLC6A3LMNA | |
| SCHEMBL11425422 | 0.70 | HRH1 (0.42) | TAAR1CYP3A4CHRM2HTR1AADRA2A | |
| SCHEMBL9291841 | 0.70 | ADRA2A (0.46) | TAAR1ADRA2ALMNAALDH1A1IDO1 | |
| SCHEMBL890889 | 0.69 | HRH1 (0.45) | TAAR1CYP3A4CHRM2HTR1AADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6255323-B1 | Cyanoguanidine compounds | SHIONOGI BIORESEARCH CORP. | 2001-07-03 | — | — | US | disclosed |
| WO-2000061561-A1 | CYANOGUANIDINE COMPOUNDS | SHIONOGI BIORESEARCH CORP. (US) | 2000-10-19 | — | — | WO | disclosed |