Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | CYBB | P04839 | 1/20 | 0.36 |
| ▸ | NOX5 | Q96PH1 | 1/20 | 0.36 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.36 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 2/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5636457 | 0.85 | CYBB (0.38) | ESR2CYBBNOX5NOX4NOX1 | |
| SCHEMBL5637696 | 0.85 | GPR119 (0.38) | ESR2CYBBNOX5NOX4NOX1 | |
| SCHEMBL5635040 | 0.82 | ESR2 (0.38) | ESR2CYBBNOX5NOX4NOX1 | |
| SCHEMBL5636204 | 0.82 | ESR2 (0.38) | ESR2CYBBNOX5NOX4NOX1 | |
| SCHEMBL5507669 | 0.70 | PTGDR2 (0.39) | ALDH1A1LMNAMAPTHPGDSMN1; SMN2 | |
| SCHEMBL8355563 | 0.70 | ESR2 (0.53) | ESR2NR1H2MEN1KMT2AMKNK1 | |
| SCHEMBL4791213 | 0.66 | ESR2 (0.44) | ESR2CYBBNOX5NOX4NOX1 | |
| SCHEMBL3184176 | 0.65 | ESR2 (0.47) | ESR2NR1H2MAPTMEN1KMT2A | |
| SCHEMBL3194232 | 0.64 | SLC6A3 (0.57) | ESR2NR1H2 | |
| SCHEMBL28443721 | 0.64 | STS (0.45) | ESR2CYBBNOX5NOX4NOX1 |
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 |