Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.73 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.67 |
| ▸ | HTR3B | O95264 | 3/20 | 0.67 |
| ▸ | HTR3A | P46098 | 3/20 | 0.67 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.67 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.67 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.58 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | PNMT | P11086 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5068041 | 0.86 | TAAR1 (0.66) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL4797248 | 0.84 | TAAR1 (0.64) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL11588057 | 0.81 | TAAR1 (0.59) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9474594 | 0.76 | TAAR1 (0.54) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL3817964 | 0.75 | CYP1A2 (0.47) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7979449 | 0.73 | GRIN2B (1.00) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7762998 | 0.73 | GRIN2B (0.54) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7763001 | 0.73 | GRIN2B (0.54) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL2995781 | 0.73 | IDO1 (0.52) | TAAR1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL4741263 | 0.72 | TAAR1 (0.50) | TAAR1HTR3EHTR3BHTR3AHTR3D |
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 |
|---|---|---|---|---|---|---|---|
| EP-1917244-A2 | HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS | Abbott GmbH & Co. KG (DE) | 2008-05-07 | — | — | EP | claimed |
| WO-2007022964-A2 | HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS | ABBOTT GMBH & CO. KG (DE) | 2007-03-01 | — | — | WO | claimed |
| WO-2009087395-A1 | WEIGHT REDUCING COMPOUNDS | UNIVERSITY OF STRATHCLYDE (GB) | 2009-07-16 | — | — | WO | disclosed |