Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 10/20 | 0.55 |
| ▸ | HTR2B | P41595 | 7/20 | 0.55 |
| ▸ | HTR2A | P28223 | 4/20 | 0.55 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.31 |
| ▸ | HTR3B | O95264 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.31 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6497823 | 0.83 | HTR2C (0.58) | HTR2CHTR2BHTR2AHTR3EHTR3B | |
| SCHEMBL5847626 | 0.83 | HTR2C (0.77) | HTR2CHTR2BHTR2AHTR3EHTR3B | |
| SCHEMBL5419945 | 0.83 | HTR2C (0.77) | HTR2CHTR2BHTR2AHTR3EHTR3B | |
| SCHEMBL5637480 | 0.82 | HTR2A (0.37) | HTR2CHTR2BHTR2A | |
| SCHEMBL5417225 | 0.82 | HTR2C (0.73) | HTR2CHTR2BHTR2AHTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL5513482 | 0.81 | HTR2C (0.58) | HTR2CHTR2BHTR2AHTR3EHTR3B | |
| SCHEMBL5407398 | 0.81 | HTR2C (0.69) | HTR2CHTR2BHTR2AHTR3EHTR3B | |
| SCHEMBL5638466 | 0.81 | HTR2C (0.61) | HTR2CHTR2BHTR2AHTR3EHTR3B | |
| SCHEMBL5636900 | 0.81 | HTR2C (0.57) | HTR2CHTR2BHTR2AHTR3EHTR3B | |
| SCHEMBL5638606 | 0.80 | HTR2C (0.49) | HTR2CHTR2BHTR2A |
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-RE39679-E1 | Substituted heterocycle fused gamma-carbolines | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2007-06-05 | — | — | US | disclosed |
| US-6713471-B1 | SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-03-30 | — | — | US | disclosed |