Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.42 |
| ▸ | CES1 | P23141 | 3/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 5/20 | 0.41 |
| ▸ | WNT3A | P56704 | 5/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ALB | P02768 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL29391353 | 0.83 | CTNNB1 (0.57) | CES2CES1CTNNB1WNT3ADRD2 | |
| SCHEMBL1050668 | 0.83 | CTNNB1 (0.57) | CES2CES1CTNNB1WNT3ADRD2 | |
| SCHEMBL7545488 | 0.81 | CD44 (0.41) | CTNNB1WNT3ADRD2ALDH1A1ERCC5 | |
| Hydrochloric Acid SCHEMBL9864094 | 0.79 | CTNNB1 (0.40) | CTNNB1WNT3ADRD2ALDH1A1ERCC5 | |
| SCHEMBL5661970 | 0.78 | CTNNB1 (0.55) | CES2CES1CTNNB1WNT3ADRD2 | |
| SCHEMBL5659865 | 0.77 | CTNNB1 (0.54) | CES2CES1CTNNB1WNT3ADRD2 | |
| SCHEMBL5658640 | 0.77 | CTNNB1 (0.54) | CES2CES1CTNNB1WNT3ADRD2 | |
| SCHEMBL9118756 | 0.76 | CES2 (0.47) | CES2CES1BCHEALDH1A1ALOX15 | |
| SCHEMBL27203892 | 0.76 | CES2 (0.57) | CES2CES1BCHECTNNB1WNT3A | |
| SCHEMBL5415859 | 0.76 | GAA (0.44) | ALDH1A1NPC1RAB9AMEN1KMT2A |
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 6 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 |
| EP-1192165-B1 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2004-09-22 | — | — | EP | 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 |
| CN-1370176-A | Subsstituted heterocycle fused gamma-carbolines | BRISTOL MYERS SQUIBB CO (US) | 2002-09-18 | — | — | CN | disclosed |
| EP-1192165-A2 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES | Bristol-Myers Squibb Pharma Company (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000077010-A2 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-12-21 | — | — | WO | disclosed |