Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 10/20 | 0.54 |
| ▸ | HTR2B | P41595 | 8/20 | 0.54 |
| ▸ | HTR2A | P28223 | 4/20 | 0.54 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | PLAT | P00750 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5636900 | 0.95 | HTR2C (0.57) | HTR2CHTR2BHTR2AHTR3EHTR3B | |
| SCHEMBL5637903 | 0.92 | HTR2C (0.55) | HTR2CHTR2BHTR2AHTR6MAPT | |
| SCHEMBL5636624 | 0.90 | HTR2C (0.53) | HTR2CHTR2BHTR2AHTR6 | |
| SCHEMBL5636686 | 0.88 | HTR2C (0.72) | HTR2CHTR2BHTR2AHTR6 | |
| SCHEMBL5637551 | 0.88 | HTR2C (0.51) | HTR2CHTR2BHTR2AHTR6 | |
| SCHEMBL5635162 | 0.86 | HTR2C (0.58) | HTR2CHTR2BHTR2AHTR6 | |
| SCHEMBL6501724 | 0.85 | HTR2C (0.59) | HTR2CHTR2BHTR2AHTR3EHTR3B | |
| SCHEMBL6783218 | 0.85 | HTR2C (0.59) | HTR2CHTR2BHTR2AHTR3EHTR3B | |
| SCHEMBL5636687 | 0.85 | HTR2C (0.56) | HTR2CHTR2BHTR2AHTR6 | |
| SCHEMBL5639194 | 0.84 | HTR2C (0.46) | HTR2CHTR2BHTR2AHTR3AHTR6 |
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 |