Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL40401 | 0.87 | CHRM2 (0.69) | CHRM2KMT2AMEN1ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL6065696 | 0.85 | CHRM2 (0.67) | CHRM2KMT2AMEN1ALDH1A1HPGD | |
| Acetic Acid SCHEMBL5467302 | 0.84 | HPGD (0.61) | CHRM2KMT2AMEN1ALDH1A1HPGD | |
| SCHEMBL9457554 | 0.81 | CHRM2 (0.62) | CHRM2KMT2AMEN1ALDH1A1HPGD | |
| Propionic Acid SCHEMBL11651928 | 0.81 | HPGD (0.57) | CHRM2KMT2AMEN1ALDH1A1HPGD | |
| SCHEMBL27764016 | 0.80 | KMT2A (0.45) | CHRM2KMT2AMEN1ALDH1A1HPGD | |
| SCHEMBL4913105 | 0.79 | CHRM2 (0.77) | CHRM2KMT2AMEN1ALDH1A1HPGD | |
| SCHEMBL6075489 | 0.78 | TAAR1 (0.48) | CHRM2KMT2AMEN1ALDH1A1HPGD | |
| SCHEMBL607175 | 0.78 | HTT (0.67) | CHRM2KMT2AMEN1ALDH1A1HPGD | |
| SCHEMBL29640378 | 0.77 | GAA (0.45) | CHRM2KMT2AMEN1ALDH1A1HPGD |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0577302-B1 | Process for preparing alpha-anomer enriched 2-deoxy-2,2-difluoro-D-ribofuranosyl sulfonates | LILLY CO ELI (US) | 1997-07-16 | — | — | EP | claimed |
| US-5424416-A | Sulfonating a lactol, followed with nucleobase anion, forming anomers | ELI LILLY AND COMPANY (US) | 1995-06-13 | — | — | US | claimed |
| EP-0577302-A1 | Process for preparing alpha-anomer enriched 2-deoxy-2,2-difluoro-D-ribofuranosyl sulfonates | ELI LILLY AND COMPANY (US) | 1994-01-05 | — | — | EP | claimed |
| US-5256798-A | Treating beta-anomer ribofuranosyl sulfonate with source of conjugate anion | ELI LILLY AND COMPANY (US) | 1993-10-26 | — | — | US | claimed |
| EP-0577303-B1 | Stereoselective glycosylation process | LILLY CO ELI (US) | 1997-10-01 | — | — | EP | disclosed |
| EP-0577302-B1 | Process for preparing alpha-anomer enriched 2-deoxy-2,2-difluoro-D-ribofuranosyl sulfonates | LILLY CO ELI (US) | 1997-07-16 | — | — | EP | disclosed |
| EP-0640614-B1 | Stereoselective process for preparing beta-anomer enriched 2-deoxy-2, 2-difluoro-d-ribofuranosyl-3, 5-hydroxy protected-1-alkyl and aryl sulfonate intermediates | LILLY CO ELI (US) | 1996-12-04 | — | — | EP | disclosed |
| US-5424416-A | Sulfonating a lactol, followed with nucleobase anion, forming anomers | ELI LILLY AND COMPANY (US) | 1995-06-13 | — | — | US | disclosed |
| EP-0640614-A2 | Stereoselective process for preparing beta-anomer enriched 2-deoxy-2, 2-difluoro-d-ribofuranosyl-3, 5-hydroxy protected-1-alkyl and aryl sulfonate intermediates | ELI LILLY AND COMPANY (US) | 1995-03-01 | — | — | EP | disclosed |
| EP-0577302-A1 | Process for preparing alpha-anomer enriched 2-deoxy-2,2-difluoro-D-ribofuranosyl sulfonates | ELI LILLY AND COMPANY (US) | 1994-01-05 | — | — | EP | disclosed |
| EP-0577303-A1 | Stereoselective glycosylation process | ELI LILLY AND COMPANY (US) | 1994-01-05 | — | — | EP | disclosed |
| US-5256798-A | Treating beta-anomer ribofuranosyl sulfonate with source of conjugate anion | ELI LILLY AND COMPANY (US) | 1993-10-26 | — | — | US | disclosed |