Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 13/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 10/20 | 0.34 |
| ▸ | DRD2 | P14416 | 5/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.32 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.32 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.31 |
| ▸ | HTR3B | O95264 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | NCF1 | P14598 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL5635087 | 0.79 | HTR2C (0.42) | HTR2CHTR2ADRD2HTR2BHTR1A | |
| SCHEMBL5636965 | 0.79 | HTR2C (0.42) | HTR2CHTR2AHTR2BCNR1 | |
| SCHEMBL5636403 | 0.79 | USP30 (0.42) | HTR2CHTR2ADRD2 | |
| SCHEMBL5637884 | 0.78 | HTR2C (0.40) | HTR2CHTR2ADRD2HTR2BKCNH2 | |
| SCHEMBL5639194 | 0.77 | HTR2C (0.46) | HTR2CHTR2AHTR2BHTR1AHTR1D | |
| SCHEMBL5636753 | 0.77 | HTR2C (0.41) | HTR2CHTR2ADRD2HTR2BHTR1A | |
| SCHEMBL5636052 | 0.77 | HTR2C (0.52) | HTR2CHTR2ADRD2HTR2BCNR2 | |
| SCHEMBL5636033 | 0.77 | HTR2C (0.40) | HTR2CHTR2AHTR2BCYP1A2HTR1A | |
| SCHEMBL5637932 | 0.77 | HTR2C (0.43) | HTR2CHTR2ADRD2HTR2BCNR2 | |
| SCHEMBL5636602 | 0.77 | HTR2C (0.48) | HTR2CHTR2ADRD2HTR2BHTR1A |
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 |