Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 11/20 | 0.37 |
| ▸ | HTR2A | P28223 | 9/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 8/20 | 0.36 |
| ▸ | STS | P08842 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6756093 | 0.95 | EPHX2 (0.38) | EPHX2HTR2CHTR2AHTR2BALDH1A1 | |
| SCHEMBL5635088 | 0.93 | EPHX2 (0.37) | EPHX2HTR2CHTR2AHTR2BALDH1A1 | |
| SCHEMBL5637410 | 0.92 | EPHX2 (0.36) | EPHX2HTR2CHTR2AHTR2BALDH1A1 | |
| SCHEMBL5637023 | 0.91 | HTR2C (0.40) | HTR2CHTR2AHTR2BDRD2 | |
| SCHEMBL6754189 | 0.91 | DRD2 (0.37) | EPHX2HTR2CHTR2AALDH1A1DRD2 | |
| SCHEMBL6756119 | 0.89 | HTR2C (0.42) | EPHX2HTR2CHTR2AHTR2BALDH1A1 | |
| SCHEMBL6754171 | 0.89 | HTT (0.38) | EPHX2HTR2CHTR2AHTR2BALDH1A1 | |
| SCHEMBL5635783 | 0.89 | HTR2C (0.37) | HTR2CHTR2AHTR2BALDH1A1DRD2 | |
| SCHEMBL5636090 | 0.89 | HTR2C (0.37) | EPHX2HTR2CHTR2AHTR2BALDH1A1 | |
| SCHEMBL5635052 | 0.89 | ALDH1A1 (0.38) | EPHX2HTR2CHTR2AHTR2BALDH1A1 |
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 |