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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SLC6A6 | P31641 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL120156 | 0.89 | — | — | |
| SCHEMBL9124564 | 0.85 | — | — | |
| Phosphine SCHEMBL2571031 | 0.85 | — | — | |
| SCHEMBL5761100 | 0.85 | — | — | |
| SCHEMBL17409640 | 0.85 | — | — | |
| SCHEMBL3479950 | 0.85 | — | — | |
| SCHEMBL5084321 | 0.85 | — | — | |
| SCHEMBL3479976 | 0.85 | — | — | |
| SCHEMBL22688913 | 0.85 | — | — | |
| Fluoride SCHEMBL28430441 | 0.85 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7968555-B2 | Intermediates in the preparation of entecavir via carbon-silicon oxidation | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-06-28 | — | — | US | disclosed |
| US-7786300-B2 | Process for preparation of entecavir and novel intermediates thereof via carbon-silicon oxidation | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-08-31 | — | — | US | disclosed |
| US-20090143578-A1 | Process for Preparation of Entecavir and Novel Intermediates Thereof Via Carbon-Silicon Oxidation | BRISTOL-MYERS SQUIBB COMPANY | 2009-06-04 | — | — | US | disclosed |
| US-7511139-B2 | Photodesilylation, oxidation, deportection, reaction with triisopropyl orthoformate in presence of acid catalyst, further reacting acetic anhydride and acetic acid, hydrolysis with HCl to form entecavir; aniviral agent; hepatitis b | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-03-31 | — | — | US | disclosed |
| US-20050272932-A1 | Process for the preparation of entecavir and novel intermediates thereof via carbon-silicon oxidation | BRISTOL-MYERS SQUIBB COMPANY | 2005-12-08 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090143578-A1 | Process for Preparation of Entecavir and Novel Intermediates Thereof Via Carbon-Silicon Oxidation | SAMHD1, TYMP, SORD | CA2 2782/4885TSHR 4708/4885TDP1 2655/4885 |
| US-20050272932-A1 | Process for the preparation of entecavir and novel intermediates thereof via carbon-silicon oxidation | SAMHD1, TYMP, SEPTIN9 | CA2 3185/4885TSHR 4709/4885TDP1 2260/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.