Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | HTR2B | P41595 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | HTR3A | P46098 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL9596042 | 0.94 | CYP3A4 (0.40) | CYP3A4KCNH2HTR2BCYP1A2HTR3A | |
| Fumaric Acid SCHEMBL9596055 | 0.94 | CYP3A4 (0.40) | CYP3A4KCNH2HTR2BCYP1A2HTR3A | |
| Lurosetron SCHEMBL9244152 | 0.87 | KCNH2 (0.68) | CYP3A4KCNH2HTR2BCYP1A2HTR3A | |
| Galdansetron SCHEMBL4564582 | 0.84 | KCNH2 (0.61) | CYP3A4KCNH2HTR2BCYP1A2HTR3A | |
| Galdansetron SCHEMBL635736 | 0.84 | KCNH2 (0.61) | CYP3A4KCNH2HTR2BCYP1A2HTR3A | |
| Galdansetron SCHEMBL636713 | 0.83 | CASP6 (0.62) | CYP3A4KCNH2HTR2BCYP1A2HTR3A | |
| Galdansetron SCHEMBL9597123 | 0.82 | CASP6 (0.61) | CYP3A4KCNH2HTR2BCYP1A2HTR3A | |
| SCHEMBL9596465 | 0.82 | CYP3A4 (0.46) | CYP3A4KCNH2HTR2BCYP1A2HTR3A | |
| Hydrochloric Acid SCHEMBL7302142 | 0.79 | CASP6 (0.40) | CYP3A4KCNH2HTR2BCYP1A2HTR3A | |
| SCHEMBL8962591 | 0.79 | HSD17B10 (0.43) | CYP3A4KCNH2HTR2BCYP1A2HTR3A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0345956-B1 | Tricyclic ketones | GLAXO GROUP LTD (GB) | 1994-03-16 | — | — | EP | claimed |
| US-5202343-A | Treating anxiety, psychological disorders | GLAXO GROUP LIMITED (GB) | 1993-04-13 | — | — | US | claimed |
| JP-2067280-A | — | — | None | — | — | JP | disclosed |
| EP-0345956-B1 | Tricyclic ketones | GLAXO GROUP LTD (GB) | 1994-03-16 | — | — | EP | disclosed |
| US-5202343-A | Treating anxiety, psychological disorders | GLAXO GROUP LIMITED (GB) | 1993-04-13 | — | — | US | disclosed |
| JP-H0267280-A | TRICYCLIC KETONE | GLAXO GROUP LTD | 1990-03-07 | — | — | JP | disclosed |
| EP-0345956-A1 | Tricyclic ketones | GLAXO GROUP LIMITED (GB) | 1989-12-13 | — | — | EP | disclosed |
| US-4859662-A | Tetrahydro-imidazolylmethylcarbazolones and analogs thereof for treating 5-HT function disturbances | GLAXO GROUP LIMITED (GB) | 1989-08-22 | — | — | US | disclosed |