Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 13/20 | 0.58 |
| ▸ | HTR2B | P41595 | 8/20 | 0.58 |
| ▸ | HTR2A | P28223 | 4/20 | 0.58 |
| ▸ | CTSG | P08311 | 1/20 | 0.35 |
| ▸ | KLK7 | P49862 | 1/20 | 0.35 |
| ▸ | KLK14 | Q9P0G3 | 1/20 | 0.35 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5637903 | 0.94 | HTR2C (0.55) | HTR2CHTR2BHTR2ACTSGKLK7 | |
| SCHEMBL5636900 | 0.92 | HTR2C (0.57) | HTR2CHTR2BHTR2AHTR6 | |
| SCHEMBL5636687 | 0.91 | HTR2C (0.56) | HTR2CHTR2BHTR2AHTR6 | |
| SCHEMBL5636267 | 0.90 | HTR2C (0.55) | HTR2CHTR2BHTR2AHTR6 | |
| SCHEMBL5637854 | 0.89 | HTR2C (0.54) | HTR2CHTR2BHTR2AHTR6 | |
| SCHEMBL5638150 | 0.89 | HTR2C (0.54) | HTR2CHTR2BHTR2ACYP1A2CYP3A4 | |
| SCHEMBL5636468 | 0.89 | HTR2C (0.75) | HTR2CHTR2BHTR2AHTR6 | |
| SCHEMBL5636208 | 0.88 | HTR2C (0.53) | HTR2CHTR2BHTR2AMEN1KMT2A | |
| SCHEMBL5638470 | 0.86 | HTR2C (0.54) | HTR2CHTR2BHTR2AHTR6 | |
| SCHEMBL5636624 | 0.85 | HTR2C (0.53) | HTR2CHTR2BHTR2AHTR6 |
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 |